19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C36H22N2 — CID 135162968

IUPAC19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
SMILESc1ccc2c(c1)[nH]c1ccc(-c3cc4c5ccccc5c5[nH]c6ccccc6c5c4c4ccccc34)cc12
InChIInChI=1S/C36H22N2/c1-3-12-25-22(9-1)28(21-17-18-33-29(19-21)24-11-5-7-15-31(24)37-33)20-30-23-10-2-4-13-26(23)36-35(34(25)30)27-14-6-8-16-32(27)38-36/h1-20,37-38H
InChIKeyKDOFPBATXHOAEV-UHFFFAOYSA-N
MW482.59 g/mol
LogP10.08
Rot. Bonds1

About 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 135162968) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
PubChem CID135162968
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
SMILESc1ccc2c(c1)[nH]c1ccc(-c3cc4c5ccccc5c5[nH]c6ccccc6c5c4c4ccccc34)cc12
InChIInChI=1S/C36H22N2/c1-3-12-25-22(9-1)28(21-17-18-33-29(19-21)24-11-5-7-15-31(24)37-33)20-30-23-10-2-4-13-26(23)36-35(34(25)30)27-14-6-8-16-32(27)38-36/h1-20,37-38H
InChIKeyKDOFPBATXHOAEV-UHFFFAOYSA-N
XLogP10.08
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 510.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

19-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166703060
10-(12-pyren-4-ylchrysen-6-yl)-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
CID 146962110
3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
CID 144661628
9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
4,10-dichloro-17-(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,15,17,19-decaen-5-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
CID 135234567
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
CID 90180362
3-(6-phenylpyren-1-yl)-9H-carbazole
CID 134424912
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 102175677
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
2-triphenylen-2-yl-9H-carbazole
CID 118922949

Frequently Asked Questions

What is the IUPAC name of 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 135162968) is 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is c1ccc2c(c1)[nH]c1ccc(-c3cc4c5ccccc5c5[nH]c6ccccc6c5c4c4ccccc34)cc12.
What is the InChIKey of 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The InChIKey is KDOFPBATXHOAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-3-12-25-22(9-1)28(21-17-18-33-29(19-21)24-11-5-7-15-31(24)37-33)20-30-23-10-2-4-13-26(23)36-35(34(25)30)27-14-6-8-16-32(27)38-36/h1-20,37-38H.
What are the key properties of 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 482.59 g/mol, XLogP of 10.08, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 135162968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).