4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene

C34H22N2 — CID 174132029

IUPAC4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene
SMILESC1=Cc2c3n(c4ccccc24)-c2ccccc2C2=C(n4c5ccccc5c5ccccc54)C=CC23C1
InChIInChI=1S/C34H22N2/c1-5-15-27-22(10-1)23-11-2-6-16-28(23)35(27)31-19-21-34-20-9-14-25-24-12-3-7-17-29(24)36(33(25)34)30-18-8-4-13-26(30)32(31)34/h1-19,21H,20H2
InChIKeyLKXJDIBOYZFJGI-UHFFFAOYSA-N
MW458.56 g/mol
LogP8.34
Rot. Bonds1

About 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene

4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene (PubChem CID 174132029) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene.

Molecular Properties

Compound Name4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene
PubChem CID174132029
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene
SMILESC1=Cc2c3n(c4ccccc24)-c2ccccc2C2=C(n4c5ccccc5c5ccccc54)C=CC23C1
InChIInChI=1S/C34H22N2/c1-5-15-27-22(10-1)23-11-2-6-16-28(23)35(27)31-19-21-34-20-9-14-25-24-12-3-7-17-29(24)36(33(25)34)30-18-8-4-13-26(30)32(31)34/h1-19,21H,20H2
InChIKeyLKXJDIBOYZFJGI-UHFFFAOYSA-N
XLogP8.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene with MolForge

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Related Compounds

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CID 170249394
14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 162093408
9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 134388922
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene
CID 168811672
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
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9-[2-(2-benzo[b]triphenylen-10-ylphenyl)phenyl]carbazole
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9-[2-(4-phosphorosophenyl)phenyl]carbazole
CID 175902814
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene?
The IUPAC name of 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene (CID 174132029) is 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene.
What is the SMILES notation for 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene?
The canonical SMILES for 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene is C1=Cc2c3n(c4ccccc24)-c2ccccc2C2=C(n4c5ccccc5c5ccccc54)C=CC23C1.
What is the InChIKey of 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene?
The InChIKey is LKXJDIBOYZFJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2/c1-5-15-27-22(10-1)23-11-2-6-16-28(23)35(27)31-19-21-34-20-9-14-25-24-12-3-7-17-29(24)36(33(25)34)30-18-8-4-13-26(30)32(31)34/h1-19,21H,20H2.
What are the key properties of 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene?
4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene has a molecular weight of 458.56 g/mol, XLogP of 8.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-12-azahexacyclo[10.10.1.01,5.06,11.013,18.019,23]tricosa-2,4,6,8,10,13,15,17,19(23),20-decaene is sourced from PubChem (CID 174132029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).