9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole

C42H35N — CID 163928364

IUPAC9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole
SMILESCc1cc(CCC2Cc3ccccc3-c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C42H35N/c1-28-25-30(19-21-32-27-31-11-3-4-12-36(31)38-14-6-5-13-37(32)38)20-23-34(28)35-24-22-33(26-29(35)2)43-41-17-9-7-15-39(41)40-16-8-10-18-42(40)43/h3-18,20,22-26,32H,19,21,27H2,1-2H3
InChIKeyRGLYDWFYJPJHNJ-UHFFFAOYSA-N
MW553.75 g/mol
LogP11.01
Rot. Bonds5

About 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole

9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole (PubChem CID 163928364) has the molecular formula C42H35N and a molecular weight of 553.75 g/mol. Its IUPAC name is 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole
PubChem CID163928364
Molecular FormulaC42H35N
Molecular Weight553.75 g/mol
Exact Mass553.28
IUPAC Name9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole
SMILESCc1cc(CCC2Cc3ccccc3-c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C42H35N/c1-28-25-30(19-21-32-27-31-11-3-4-12-36(31)38-14-6-5-13-37(32)38)20-23-34(28)35-24-22-33(26-29(35)2)43-41-17-9-7-15-39(41)40-16-8-10-18-42(40)43/h3-18,20,22-26,32H,19,21,27H2,1-2H3
InChIKeyRGLYDWFYJPJHNJ-UHFFFAOYSA-N
XLogP11.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[10-(2-phenylethyl)-9,10-dihydrophenanthren-3-yl]carbazol-9-amine
CID 156648684
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole
CID 167027158
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 158559186
9-[9-[2-(3,5-diphenylphenyl)ethyl]-9H-fluoren-3-yl]carbazole
CID 142356553
3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 23397785
4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
CID 163810192
3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole
CID 167289448
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-3,4-didehydro-4a,9a-dihydrocarbazole
CID 166919176
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole
CID 134172961

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole?
The IUPAC name of 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole (CID 163928364) is 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole?
The canonical SMILES for 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole is Cc1cc(CCC2Cc3ccccc3-c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.
What is the InChIKey of 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole?
The InChIKey is RGLYDWFYJPJHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N/c1-28-25-30(19-21-32-27-31-11-3-4-12-36(31)38-14-6-5-13-37(32)38)20-23-34(28)35-24-22-33(26-29(35)2)43-41-17-9-7-15-39(41)40-16-8-10-18-42(40)43/h3-18,20,22-26,32H,19,21,27H2,1-2H3.
What are the key properties of 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole?
9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole has a molecular weight of 553.75 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole is sourced from PubChem (CID 163928364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).