4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole

C42H29N3 — CID 170263351

IUPAC4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)=C2C(C1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C42H29N3/c1-2-14-28(15-3-1)43-34-21-8-6-18-31(34)32-20-12-27-40(42(32)43)45-37-24-11-7-19-33(37)41-38(25-13-26-39(41)45)44-35-22-9-4-16-29(35)30-17-5-10-23-36(30)44/h1-19,21-27,32H,20H2
InChIKeyAXYDDAFMGKWVAS-UHFFFAOYSA-N
MW575.72 g/mol
LogP10.96
Rot. Bonds3

About 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole

4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole (PubChem CID 170263351) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole
PubChem CID170263351
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)=C2C(C1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C42H29N3/c1-2-14-28(15-3-1)43-34-21-8-6-18-31(34)32-20-12-27-40(42(32)43)45-37-24-11-7-19-33(37)41-38(25-13-26-39(41)45)44-35-22-9-4-16-29(35)30-17-5-10-23-36(30)44/h1-19,21-27,32H,20H2
InChIKeyAXYDDAFMGKWVAS-UHFFFAOYSA-N
XLogP10.96
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-phenyl-5-(4-phenylphenyl)-7,7a-dihydroindolo[3,2-c]carbazole
CID 134556780
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
triphenyl-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170515887
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
5-iodo-15,15-dimethyl-1,5-diazaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2(14),3,6,8,10,12,16(27),17,21,23,25-undecaene
CID 155306868

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole?
The IUPAC name of 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole (CID 170263351) is 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole.
What is the SMILES notation for 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole?
The canonical SMILES for 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole is C1=CC(n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)=C2C(C1)c1ccccc1N2c1ccccc1.
What is the InChIKey of 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole?
The InChIKey is AXYDDAFMGKWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-2-14-28(15-3-1)43-34-21-8-6-18-31(34)32-20-12-27-40(42(32)43)45-37-24-11-7-19-33(37)41-38(25-13-26-39(41)45)44-35-22-9-4-16-29(35)30-17-5-10-23-36(30)44/h1-19,21-27,32H,20H2.
What are the key properties of 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole?
4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole has a molecular weight of 575.72 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 4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole is sourced from PubChem (CID 170263351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).