12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene

C141H86N12 — CID 158106653

IUPAC12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
SMILESc1cc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)c3ccccc3n2)c2cc(N3c4ccc5ccccc5c4-c4cccc5cccc3c45)ccc2c1.c1cc(-c2nc(-c3cccc4cccnc34)c3ccccc3n2)cc(N2c3ccc4ccccc4c3-c3cccc4cccc2c34)c1.c1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccc7ccccc7c6-c6cccc7cccc5c67)cc4)nc4ccccc34)cc2)nc1
InChIInChI=1S/C53H32N4.C45H28N4.C43H26N4/c1-2-16-40-33(10-1)28-30-48-50(40)44-20-6-12-36-13-8-22-47(49(36)44)57(48)39-29-27-34-11-5-19-42(45(34)32-39)53-55-46-21-4-3-17-43(46)52(56-53)38-25-23-35(24-26-38)41-18-7-14-37-15-9-31-54-51(37)41;1-2-12-35-29(9-1)24-27-41-43(35)37-14-7-10-31-11-8-17-40(42(31)37)49(41)34-25-22-33(23-26-34)45-47-39-16-4-3-13-36(39)44(48-45)32-20-18-30(19-21-32)38-15-5-6-28-46-38;1-2-17-32-27(10-1)23-24-38-40(32)34-19-6-11-28-12-8-22-37(39(28)34)47(38)31-16-5-14-30(26-31)43-45-36-21-4-3-18-33(36)42(46-43)35-20-7-13-29-15-9-25-44-41(29)35/h1-32H;1-28H;1-26H
InChIKeyFPXNRRRRVRLAAP-UHFFFAOYSA-N
MW1948.32 g/mol
LogP37.14
Rot. Bonds11

About 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene

12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene (PubChem CID 158106653) has the molecular formula C141H86N12 and a molecular weight of 1948.32 g/mol. Its IUPAC name is 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene.

Molecular Properties

Compound Name12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
PubChem CID158106653
Molecular FormulaC141H86N12
Molecular Weight1948.32 g/mol
Exact Mass1946.71
IUPAC Name12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
SMILESc1cc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)c3ccccc3n2)c2cc(N3c4ccc5ccccc5c4-c4cccc5cccc3c45)ccc2c1.c1cc(-c2nc(-c3cccc4cccnc34)c3ccccc3n2)cc(N2c3ccc4ccccc4c3-c3cccc4cccc2c34)c1.c1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccc7ccccc7c6-c6cccc7cccc5c67)cc4)nc4ccccc34)cc2)nc1
InChIInChI=1S/C53H32N4.C45H28N4.C43H26N4/c1-2-16-40-33(10-1)28-30-48-50(40)44-20-6-12-36-13-8-22-47(49(36)44)57(48)39-29-27-34-11-5-19-42(45(34)32-39)53-55-46-21-4-3-17-43(46)52(56-53)38-25-23-35(24-26-38)41-18-7-14-37-15-9-31-54-51(37)41;1-2-12-35-29(9-1)24-27-41-43(35)37-14-7-10-31-11-8-17-40(42(31)37)49(41)34-25-22-33(23-26-34)45-47-39-16-4-3-13-36(39)44(48-45)32-20-18-30(19-21-32)38-15-5-6-28-46-38;1-2-17-32-27(10-1)23-24-38-40(32)34-19-6-11-28-12-8-22-37(39(28)34)47(38)31-16-5-14-30(26-31)43-45-36-21-4-3-18-33(36)42(46-43)35-20-7-13-29-15-9-25-44-41(29)35/h1-32H;1-28H;1-26H
InChIKeyFPXNRRRRVRLAAP-UHFFFAOYSA-N
XLogP37.14
TPSA125.73 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001948.32
LogP ≤ 537.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene with MolForge

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Related Compounds

12-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 155788802
2-[7-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155789243
2-[4-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155788567
2-[3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-1-yl]-4-(4-quinolin-8-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-(4-pyridin-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-4-quinolin-8-yl-[1]benzofuro[3,2-d]pyrimidine
CID 158135987
12-[1-(4-carbazol-9-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[5-(4-pyridin-2-ylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-pyridin-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 161237052
12-[3-[4-[2-methyl-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 158271052
12-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 147461570
14-phenyl-10-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216167
N-[4-[4-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129133944
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
CID 163701892
2-[4-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 155788765
4-(7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran;2-dibenzofuran-4-yl-6-triphenylen-2-ylpyridine;2,4-diphenyl-6-triphenylen-2-yl-1,3,5-triazine;4-phenyl-2-triphenylen-2-ylquinazoline;2-pyridin-2-yl-5-triphenylen-2-ylpyridine;8-(4-triphenylen-2-ylphenyl)quinoline
CID 160988890

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?
The IUPAC name of 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene (CID 158106653) is 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene.
What is the SMILES notation for 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?
The canonical SMILES for 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene is c1cc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)c3ccccc3n2)c2cc(N3c4ccc5ccccc5c4-c4cccc5cccc3c45)ccc2c1.c1cc(-c2nc(-c3cccc4cccnc34)c3ccccc3n2)cc(N2c3ccc4ccccc4c3-c3cccc4cccc2c34)c1.c1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccc7ccccc7c6-c6cccc7cccc5c67)cc4)nc4ccccc34)cc2)nc1.
What is the InChIKey of 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?
The InChIKey is FPXNRRRRVRLAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4.C45H28N4.C43H26N4/c1-2-16-40-33(10-1)28-30-48-50(40)44-20-6-12-36-13-8-22-47(49(36)44)57(48)39-29-27-34-11-5-19-42(45(34)32-39)53-55-46-21-4-3-17-43(46)52(56-53)38-25-23-35(24-26-38)41-18-7-14-37-15-9-31-54-51(37)41;1-2-12-35-29(9-1)24-27-41-43(35)37-14-7-10-31-11-8-17-40(42(31)37)49(41)34-25-22-33(23-26-34)45-47-39-16-4-3-13-36(39)44(48-45)32-20-18-30(19-21-32)38-15-5-6-28-46-38;1-2-17-32-27(10-1)23-24-38-40(32)34-19-6-11-28-12-8-22-37(39(28)34)47(38)31-16-5-14-30(26-31)43-45-36-21-4-3-18-33(36)42(46-43)35-20-7-13-29-15-9-25-44-41(29)35/h1-32H;1-28H;1-26H.
What are the key properties of 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?
12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene has a molecular weight of 1948.32 g/mol, XLogP of 37.14, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[8-[4-(4-quinolin-8-ylphenyl)quinazolin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene;12-[3-(4-quinolin-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene is sourced from PubChem (CID 158106653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).