9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole

C43H31N3 — CID 165037523

IUPAC9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole
SMILESCC12C=CC=CC1N(c1cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c1)c1ccccc12
InChIInChI=1S/C43H31N3/c1-43-26-11-10-23-42(43)46(41-22-9-5-18-36(41)43)30-14-12-13-29(27-30)44-39-21-8-4-17-34(39)35-28-31(24-25-40(35)44)45-37-19-6-2-15-32(37)33-16-3-7-20-38(33)45/h2-28,42H,1H3
InChIKeyNPPUZDGVWIOBPC-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.78
Rot. Bonds3

About 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole

9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole (PubChem CID 165037523) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole.

Molecular Properties

Compound Name9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole
PubChem CID165037523
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole
SMILESCC12C=CC=CC1N(c1cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c1)c1ccccc12
InChIInChI=1S/C43H31N3/c1-43-26-11-10-23-42(43)46(41-22-9-5-18-36(41)43)30-14-12-13-29(27-30)44-39-21-8-4-17-34(39)35-28-31(24-25-40(35)44)45-37-19-6-2-15-32(37)33-16-3-7-20-38(33)45/h2-28,42H,1H3
InChIKeyNPPUZDGVWIOBPC-UHFFFAOYSA-N
XLogP10.78
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(4b-methyl-8aH-carbazol-9-yl)-5-carbazol-9-ylphenyl]carbazole
CID 91518473
4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole
CID 163785582
3-(4a,4b-dimethyl-8a,9a-dihydrocarbazol-9-yl)-9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-methyl-4H-carbazole
CID 163729639
3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 137446708
3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146521279
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole
CID 163507706
3,6-di(carbazol-9-yl)-4b-methyl-9-(3-methylphenyl)-8aH-carbazole
CID 163612066
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
4b-methyl-9-(3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaen-9-yl)-8aH-carbazole
CID 165103646
4b-methyl-9-phenyl-8aH-carbazol-3-amine
CID 129311124
9-[3-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-2-cyanophenyl]-4b-methyl-8aH-carbazole-3-carbonitrile
CID 167280750

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole?
The IUPAC name of 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole (CID 165037523) is 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole.
What is the SMILES notation for 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole?
The canonical SMILES for 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole is CC12C=CC=CC1N(c1cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c1)c1ccccc12.
What is the InChIKey of 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole?
The InChIKey is NPPUZDGVWIOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-43-26-11-10-23-42(43)46(41-22-9-5-18-36(41)43)30-14-12-13-29(27-30)44-39-21-8-4-17-34(39)35-28-31(24-25-40(35)44)45-37-19-6-2-15-32(37)33-16-3-7-20-38(33)45/h2-28,42H,1H3.
What are the key properties of 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole?
9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole has a molecular weight of 589.74 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole is sourced from PubChem (CID 165037523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).