15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C36H22N4 — CID 129297165

IUPAC15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(N2c3ccccc3-c3nc(-n4c5ccccc5c5ccc6ccccc6c54)nc4cccc2c34)cc1
InChIInChI=1S/C36H22N4/c1-2-12-24(13-3-1)39-31-19-9-7-16-28(31)34-33-29(17-10-20-32(33)39)37-36(38-34)40-30-18-8-6-15-26(30)27-22-21-23-11-4-5-14-25(23)35(27)40/h1-22H
InChIKeyPKPSRMKYULTHGV-UHFFFAOYSA-N
MW510.60 g/mol
LogP9.33
Rot. Bonds2

About 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297165) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID129297165
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(N2c3ccccc3-c3nc(-n4c5ccccc5c5ccc6ccccc6c54)nc4cccc2c34)cc1
InChIInChI=1S/C36H22N4/c1-2-12-24(13-3-1)39-31-19-9-7-16-28(31)34-33-29(17-10-20-32(33)39)37-36(38-34)40-30-18-8-6-15-26(30)27-22-21-23-11-4-5-14-25(23)35(27)40/h1-22H
InChIKeyPKPSRMKYULTHGV-UHFFFAOYSA-N
XLogP9.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

3-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
CID 129297158
3-naphthalen-2-yl-24-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 149094505
15-[3-ethenyl-2-(3-methyl-1-phenylindol-2-yl)indol-1-yl]-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 126695269
15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 160916201
9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole
CID 155114360
7,7-dimethyl-2-[5-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]benzo[e]perimidine
CID 147745143
15-(28-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-13-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297382
15-(15-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaen-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297374
24-phenyl-3-quinazolin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122465139
8-[4-(9-phenylcarbazol-4-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 146214108
3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 158182877
12-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-15-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 139539213

Frequently Asked Questions

What is the IUPAC name of 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297165) is 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(N2c3ccccc3-c3nc(-n4c5ccccc5c5ccc6ccccc6c54)nc4cccc2c34)cc1.
What is the InChIKey of 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is PKPSRMKYULTHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-2-12-24(13-3-1)39-31-19-9-7-16-28(31)34-33-29(17-10-20-32(33)39)37-36(38-34)40-30-18-8-6-15-26(30)27-22-21-23-11-4-5-14-25(23)35(27)40/h1-22H.
What are the key properties of 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 510.60 g/mol, XLogP of 9.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-benzo[a]carbazol-11-yl-8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 129297165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).