9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole

C38H39N — CID 168808571

IUPAC9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C38H39N/c1-37(2,3)31-14-17-36-34(21-31)33-6-4-5-7-35(33)39(36)32-15-10-29(11-16-32)28-8-12-30(13-9-28)38-22-25-18-26(23-38)20-27(19-25)24-38/h4-17,21,25-27H,18-20,22-24H2,1-3H3
InChIKeyWYFRMGQZNZIHGW-UHFFFAOYSA-N
MW509.74 g/mol
LogP10.22
Rot. Bonds3

About 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole

9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole (PubChem CID 168808571) has the molecular formula C38H39N and a molecular weight of 509.74 g/mol. Its IUPAC name is 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole.

Molecular Properties

Compound Name9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole
PubChem CID168808571
Molecular FormulaC38H39N
Molecular Weight509.74 g/mol
Exact Mass509.31
IUPAC Name9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C38H39N/c1-37(2,3)31-14-17-36-34(21-31)33-6-4-5-7-35(33)39(36)32-15-10-29(11-16-32)28-8-12-30(13-9-28)38-22-25-18-26(23-38)20-27(19-25)24-38/h4-17,21,25-27H,18-20,22-24H2,1-3H3
InChIKeyWYFRMGQZNZIHGW-UHFFFAOYSA-N
XLogP10.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.74
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
1-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]adamantane
CID 170924975
9-[4-(1-adamantyl)phenyl]-2-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 169054706
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171574335
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2-[4-[4-(1-adamantyl)phenyl]-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054901
1-[4-(3-tert-butyl-5-phenylphenyl)phenyl]adamantane
CID 168808380
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
7-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193342

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole?
The IUPAC name of 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole (CID 168808571) is 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole.
What is the SMILES notation for 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole?
The canonical SMILES for 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1.
What is the InChIKey of 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole?
The InChIKey is WYFRMGQZNZIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N/c1-37(2,3)31-14-17-36-34(21-31)33-6-4-5-7-35(33)39(36)32-15-10-29(11-16-32)28-8-12-30(13-9-28)38-22-25-18-26(23-38)20-27(19-25)24-38/h4-17,21,25-27H,18-20,22-24H2,1-3H3.
What are the key properties of 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole?
9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole has a molecular weight of 509.74 g/mol, XLogP of 10.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole is sourced from PubChem (CID 168808571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).