9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole

C43H34N2 — CID 147379775

IUPAC9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole
SMILESCC1CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccccc21
InChIInChI=1S/C43H34N2/c1-29-26-33(31-22-24-34(25-23-31)44-40-19-8-5-16-36(40)37-17-6-9-20-41(37)44)28-39-38-18-7-10-21-42(38)45(43(29)39)35-15-11-14-32(27-35)30-12-3-2-4-13-30/h2-25,27,29,33H,26,28H2,1H3
InChIKeyDKSXJFIRPRKDST-UHFFFAOYSA-N
MW578.76 g/mol
LogP11.23
Rot. Bonds4

About 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole

9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole (PubChem CID 147379775) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole
PubChem CID147379775
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC Name9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole
SMILESCC1CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccccc21
InChIInChI=1S/C43H34N2/c1-29-26-33(31-22-24-34(25-23-31)44-40-19-8-5-16-36(40)37-17-6-9-20-41(37)44)28-39-38-18-7-10-21-42(38)45(43(29)39)35-15-11-14-32(27-35)30-12-3-2-4-13-30/h2-25,27,29,33H,26,28H2,1H3
InChIKeyDKSXJFIRPRKDST-UHFFFAOYSA-N
XLogP11.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158665027
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole (CID 147379775) is 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole is CC1CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccccc21.
What is the InChIKey of 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole?
The InChIKey is DKSXJFIRPRKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-29-26-33(31-22-24-34(25-23-31)44-40-19-8-5-16-36(40)37-17-6-9-20-41(37)44)28-39-38-18-7-10-21-42(38)45(43(29)39)35-15-11-14-32(27-35)30-12-3-2-4-13-30/h2-25,27,29,33H,26,28H2,1H3.
What are the key properties of 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole?
9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole has a molecular weight of 578.76 g/mol, XLogP of 11.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-methyl-9-(3-phenylphenyl)-1,2,3,4-tetrahydrocarbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 147379775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).