3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole

C43H32N2 — CID 174110726

IUPAC3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
SMILESC[C@@H]1c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H32N2/c1-29-35(32-22-26-41-38(28-32)36-16-8-10-18-39(36)44(41)33-14-6-3-7-15-33)25-27-42-43(29)37-17-9-11-19-40(37)45(42)34-23-20-31(21-24-34)30-12-4-2-5-13-30/h2-29,35H,1H3/t29-,35?/m0/s1
InChIKeyKKMGCQVLXCHQPI-SZVSUXHCSA-N
MW576.74 g/mol
LogP11.31
Rot. Bonds4

About 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole

3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole (PubChem CID 174110726) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
PubChem CID174110726
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
SMILESC[C@@H]1c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H32N2/c1-29-35(32-22-26-41-38(28-32)36-16-8-10-18-39(36)44(41)33-14-6-3-7-15-33)25-27-42-43(29)37-17-9-11-19-40(37)45(42)34-23-20-31(21-24-34)30-12-4-2-5-13-30/h2-29,35H,1H3/t29-,35?/m0/s1
InChIKeyKKMGCQVLXCHQPI-SZVSUXHCSA-N
XLogP11.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]oxidanium
CID 163674728
2-[4-methyl-9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-5,7,7-triphenylindeno[2,1-b]carbazole
CID 121343240
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole
CID 118587725
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole (CID 174110726) is 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole is C[C@@H]1c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The InChIKey is KKMGCQVLXCHQPI-SZVSUXHCSA-N. The full InChI is InChI=1S/C43H32N2/c1-29-35(32-22-26-41-38(28-32)36-16-8-10-18-39(36)44(41)33-14-6-3-7-15-33)25-27-42-43(29)37-17-9-11-19-40(37)45(42)34-23-20-31(21-24-34)30-12-4-2-5-13-30/h2-29,35H,1H3/t29-,35?/m0/s1.
What are the key properties of 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole?
3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole has a molecular weight of 576.74 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 174110726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).