9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole

C54H35N — CID 123705054

IUPAC9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole
SMILESc1ccc(C2=C(c3ccccc3)C(n3c4ccccc4c4ccccc43)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C54H35N/c1-6-20-36(21-7-1)43-34-45-46(35-44(43)37-22-8-2-9-23-37)52-53(49(45)38-24-10-3-11-25-38)50(39-26-12-4-13-27-39)51(40-28-14-5-15-29-40)54(52)55-47-32-18-16-30-41(47)42-31-17-19-33-48(42)55/h1-35H
InChIKeyQJUSXADJGZLANC-UHFFFAOYSA-N
MW697.88 g/mol
LogP13.94
Rot. Bonds6

About 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole

9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole (PubChem CID 123705054) has the molecular formula C54H35N and a molecular weight of 697.88 g/mol. Its IUPAC name is 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole.

Molecular Properties

Compound Name9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole
PubChem CID123705054
Molecular FormulaC54H35N
Molecular Weight697.88 g/mol
Exact Mass697.28
IUPAC Name9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole
SMILESc1ccc(C2=C(c3ccccc3)C(n3c4ccccc4c4ccccc43)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C54H35N/c1-6-20-36(21-7-1)43-34-45-46(35-44(43)37-22-8-2-9-23-37)52-53(49(45)38-24-10-3-11-25-38)50(39-26-12-4-13-27-39)51(40-28-14-5-15-29-40)54(52)55-47-32-18-16-30-41(47)42-31-17-19-33-48(42)55/h1-35H
InChIKeyQJUSXADJGZLANC-UHFFFAOYSA-N
XLogP13.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(19-carbazol-9-yl-18,22-diphenyl-20-hexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaenyl)carbazole;19,20-dinaphthalen-1-yl-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene;19,20-di(phenanthren-3-yl)-18,22-diphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene
CID 159082972
9-[4-[3-(4-carbazol-9-ylphenyl)-4-(2,4,5-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943753
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
CID 159891346
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903092
9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
9-(1-carbazol-9-yl-5,8-dimethyl-2,6-dinaphthalen-2-yl-3,7-diphenylcyclopenta[a]inden-4-yl)carbazole
CID 159985465
9-(6,8-diphenylpyren-1-yl)carbazole
CID 90336849
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole?
The IUPAC name of 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole (CID 123705054) is 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole.
What is the SMILES notation for 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole?
The canonical SMILES for 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole is c1ccc(C2=C(c3ccccc3)C(n3c4ccccc4c4ccccc43)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole?
The InChIKey is QJUSXADJGZLANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N/c1-6-20-36(21-7-1)43-34-45-46(35-44(43)37-22-8-2-9-23-37)52-53(49(45)38-24-10-3-11-25-38)50(39-26-12-4-13-27-39)51(40-28-14-5-15-29-40)54(52)55-47-32-18-16-30-41(47)42-31-17-19-33-48(42)55/h1-35H.
What are the key properties of 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole?
9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole has a molecular weight of 697.88 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)carbazole is sourced from PubChem (CID 123705054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).