1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole

C41H37N — CID 169054774

IUPAC1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C41H37N/c1-27-18-32(31-14-16-34(17-15-31)41-24-28-20-29(25-41)22-30(21-28)26-41)23-33(19-27)36-11-7-12-38-37-10-5-6-13-39(37)42(40(36)38)35-8-3-2-4-9-35/h2-19,23,28-30H,20-22,24-26H2,1H3
InChIKeyZNINRYPENTUHNU-UHFFFAOYSA-N
MW543.75 g/mol
LogP10.89
Rot. Bonds4

About 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole

1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole (PubChem CID 169054774) has the molecular formula C41H37N and a molecular weight of 543.75 g/mol. Its IUPAC name is 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole
PubChem CID169054774
Molecular FormulaC41H37N
Molecular Weight543.75 g/mol
Exact Mass543.29
IUPAC Name1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C41H37N/c1-27-18-32(31-14-16-34(17-15-31)41-24-28-20-29(25-41)22-30(21-28)26-41)23-33(19-27)36-11-7-12-38-37-10-5-6-13-39(37)42(40(36)38)35-8-3-2-4-9-35/h2-19,23,28-30H,20-22,24-26H2,1H3
InChIKeyZNINRYPENTUHNU-UHFFFAOYSA-N
XLogP10.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.75
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
2-[4-[4-(1-adamantyl)phenyl]-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054901
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
9-[4-(1-adamantyl)phenyl]-2-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 169054706
11-[4-[4-[4-[8-[4-(1-adamantyl)phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]benzo[a]carbazole
CID 177283076
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171574335
9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-amine
CID 130204001
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028546
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole?
The IUPAC name of 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole (CID 169054774) is 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole is Cc1cc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole?
The InChIKey is ZNINRYPENTUHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37N/c1-27-18-32(31-14-16-34(17-15-31)41-24-28-20-29(25-41)22-30(21-28)26-41)23-33(19-27)36-11-7-12-38-37-10-5-6-13-39(37)42(40(36)38)35-8-3-2-4-9-35/h2-19,23,28-30H,20-22,24-26H2,1H3.
What are the key properties of 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole?
1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole has a molecular weight of 543.75 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 169054774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).