4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine

C90H54N4O2 — CID 165100890

IUPAC4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine
SMILESc1ccc(N(c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc2cc(-c3nc(-c4ccc5c(ccc6ccc7cc8oc9ccccc9c8cc7c65)c4)nc4ccccc34)ccc2c1
InChIInChI=1S/C48H30N2O.C42H24N2O/c1-3-14-32(15-4-1)49(43-24-13-22-39-36-18-9-11-23-42(36)50(47(39)43)33-16-5-2-6-17-33)34-27-29-35-31(30-34)26-28-41-45(35)37-19-7-8-20-38(37)46-40-21-10-12-25-44(40)51-48(41)46;1-2-8-27-21-30(18-13-25(27)7-1)41-34-10-3-5-11-37(34)43-42(44-41)31-19-20-32-28(22-31)16-14-26-15-17-29-23-39-36(24-35(29)40(26)32)33-9-4-6-12-38(33)45-39/h1-30H;1-24H
InChIKeyYHLQMFCAHVYHJE-UHFFFAOYSA-N
MW1223.45 g/mol
LogP25.09
Rot. Bonds6

About 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine

4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine (PubChem CID 165100890) has the molecular formula C90H54N4O2 and a molecular weight of 1223.45 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine
PubChem CID165100890
Molecular FormulaC90H54N4O2
Molecular Weight1223.45 g/mol
Exact Mass1222.42
IUPAC Name4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine
SMILESc1ccc(N(c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc2cc(-c3nc(-c4ccc5c(ccc6ccc7cc8oc9ccccc9c8cc7c65)c4)nc4ccccc34)ccc2c1
InChIInChI=1S/C48H30N2O.C42H24N2O/c1-3-14-32(15-4-1)49(43-24-13-22-39-36-18-9-11-23-42(36)50(47(39)43)33-16-5-2-6-17-33)34-27-29-35-31(30-34)26-28-41-45(35)37-19-7-8-20-38(37)46-40-21-10-12-25-44(40)51-48(41)46;1-2-8-27-21-30(18-13-25(27)7-1)41-34-10-3-5-11-37(34)43-42(44-41)31-19-20-32-28(22-31)16-14-26-15-17-29-23-39-36(24-35(29)40(26)32)33-9-4-6-12-38(33)45-39/h1-30H;1-24H
InChIKeyYHLQMFCAHVYHJE-UHFFFAOYSA-N
XLogP25.09
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.45
LogP ≤ 525.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine with MolForge

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Related Compounds

N-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721890
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170034219
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 162109669
N,9-diphenyl-N-(24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-yl)carbazol-1-amine;N-(24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine;N-phenyl-N-(3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)dibenzofuran-1-amine
CID 165021417
N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-2-amine;N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 165064934
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
CID 170665916
N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
CID 176795959

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine?
The IUPAC name of 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine (CID 165100890) is 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine.
What is the SMILES notation for 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine?
The canonical SMILES for 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine is c1ccc(N(c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc2cc(-c3nc(-c4ccc5c(ccc6ccc7cc8oc9ccccc9c8cc7c65)c4)nc4ccccc34)ccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine?
The InChIKey is YHLQMFCAHVYHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C42H24N2O/c1-3-14-32(15-4-1)49(43-24-13-22-39-36-18-9-11-23-42(36)50(47(39)43)33-16-5-2-6-17-33)34-27-29-35-31(30-34)26-28-41-45(35)37-19-7-8-20-38(37)46-40-21-10-12-25-44(40)51-48(41)46;1-2-8-27-21-30(18-13-25(27)7-1)41-34-10-3-5-11-37(34)43-42(44-41)31-19-20-32-28(22-31)16-14-26-15-17-29-23-39-36(24-35(29)40(26)32)33-9-4-6-12-38(33)45-39/h1-30H;1-24H.
What are the key properties of 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine?
4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine has a molecular weight of 1223.45 g/mol, XLogP of 25.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(17-oxahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)quinazoline;N-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-N,9-diphenylcarbazol-1-amine is sourced from PubChem (CID 165100890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).