14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C41H27N3 — CID 70808516

IUPAC14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccnc(N5c6ccccc6-c6ccccc6-c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C41H27N3/c1-2-12-30(13-3-1)43-37-19-9-8-18-35(37)36-26-28(22-23-40(36)43)29-24-25-42-41(27-29)44-38-20-10-6-16-33(38)31-14-4-5-15-32(31)34-17-7-11-21-39(34)44/h1-27H
InChIKeyKDLMKRVLBHQKAL-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.96
Rot. Bonds3

About 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 70808516) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID70808516
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccnc(N5c6ccccc6-c6ccccc6-c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C41H27N3/c1-2-12-30(13-3-1)43-37-19-9-8-18-35(37)36-26-28(22-23-40(36)43)29-24-25-42-41(27-29)44-38-20-10-6-16-33(38)31-14-4-5-15-32(31)34-17-7-11-21-39(34)44/h1-27H
InChIKeyKDLMKRVLBHQKAL-UHFFFAOYSA-N
XLogP10.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene with MolForge

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Related Compounds

18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 130326868
8-phenyl-15-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,10,12-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682696
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
23-(9-phenylcarbazol-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 145085317
14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
CID 118216147
3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 158217203
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250

Frequently Asked Questions

What is the IUPAC name of 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 70808516) is 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is c1ccc(-n2c3ccccc3c3cc(-c4ccnc(N5c6ccccc6-c6ccccc6-c6ccccc65)c4)ccc32)cc1.
What is the InChIKey of 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is KDLMKRVLBHQKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-2-12-30(13-3-1)43-37-19-9-8-18-35(37)36-26-28(22-23-40(36)43)29-24-25-42-41(27-29)44-38-20-10-6-16-33(38)31-14-4-5-15-32(31)34-17-7-11-21-39(34)44/h1-27H.
What are the key properties of 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 561.69 g/mol, XLogP of 10.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 70808516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).