12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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

C56H34N4 — CID 155788920

IUPAC12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-c4ccc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)c5ccccc45)ccc32)cc1
InChIInChI=1S/C56H34N4/c1-2-18-39(19-3-1)59-49-26-11-8-22-42(49)45-33-38(28-30-51(45)59)55-56(58-48-25-10-9-24-47(48)57-55)44-29-31-50(41-21-7-6-20-40(41)44)60-52-27-13-17-35-16-12-23-43(54(35)52)46-32-36-14-4-5-15-37(36)34-53(46)60/h1-34H
InChIKeyKEFBRPGICYAMEB-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.97
Rot. Bonds4

About 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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

12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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 (PubChem CID 155788920) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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.

Molecular Properties

Compound Name12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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
PubChem CID155788920
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-c4ccc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)c5ccccc45)ccc32)cc1
InChIInChI=1S/C56H34N4/c1-2-18-39(19-3-1)59-49-26-11-8-22-42(49)45-33-38(28-30-51(45)59)55-56(58-48-25-10-9-24-47(48)57-55)44-29-31-50(41-21-7-6-20-40(41)44)60-52-27-13-17-35-16-12-23-43(54(35)52)46-32-36-14-4-5-15-37(36)34-53(46)60/h1-34H
InChIKeyKEFBRPGICYAMEB-UHFFFAOYSA-N
XLogP14.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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 with MolForge

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Related Compounds

8-[4-(3-carbazol-9-ylquinoxalin-2-yl)naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(3-dibenzofuran-4-ylquinoxalin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 162081156
CID 174033967
CID 174033967
8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 135279846
8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 159588974
9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375007
8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375358
8-[8-bromo-4-[6-[8-(8-bromonaphthalen-1-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl]-9-phenylcarbazol-2-yl]naphthalen-1-yl]-4-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 135279903
9-benzo[c]carbazol-7-yl-5-[4-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[5-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 158148943
11-phenyl-30-[4-(3-phenylquinoxalin-2-yl)phenyl]-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
CID 166896362
3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375849
N,N-diphenyl-4-[16-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-12-yl]aniline
CID 129133998
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317

Frequently Asked Questions

What is the IUPAC name of 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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?
The IUPAC name of 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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 155788920) is 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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.
What is the SMILES notation for 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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?
The canonical SMILES for 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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 is c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-c4ccc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)c5ccccc45)ccc32)cc1.
What is the InChIKey of 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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?
The InChIKey is KEFBRPGICYAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-2-18-39(19-3-1)59-49-26-11-8-22-42(49)45-33-38(28-30-51(45)59)55-56(58-48-25-10-9-24-47(48)57-55)44-29-31-50(41-21-7-6-20-40(41)44)60-52-27-13-17-35-16-12-23-43(54(35)52)46-32-36-14-4-5-15-37(36)34-53(46)60/h1-34H.
What are the key properties of 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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?
12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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 has a molecular weight of 762.92 g/mol, XLogP of 14.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-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 is sourced from PubChem (CID 155788920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).