3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole

C43H40N2 — CID 140803300

IUPAC3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccnc(-c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C43H40N2/c1-42(2,3)34-18-12-30(13-19-34)33-17-23-41-38(27-33)37-26-32(29-10-8-7-9-11-29)16-22-40(37)45(41)36-24-25-44-39(28-36)31-14-20-35(21-15-31)43(4,5)6/h7-28H,1-6H3
InChIKeyTZLJDZQVGQRQDH-UHFFFAOYSA-N
MW584.81 g/mol
LogP11.77
Rot. Bonds4

About 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole

3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole (PubChem CID 140803300) has the molecular formula C43H40N2 and a molecular weight of 584.81 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
PubChem CID140803300
Molecular FormulaC43H40N2
Molecular Weight584.81 g/mol
Exact Mass584.32
IUPAC Name3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccnc(-c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C43H40N2/c1-42(2,3)34-18-12-30(13-19-34)33-17-23-41-38(27-33)37-26-32(29-10-8-7-9-11-29)16-22-40(37)45(41)36-24-25-44-39(28-36)31-14-20-35(21-15-31)43(4,5)6/h7-28H,1-6H3
InChIKeyTZLJDZQVGQRQDH-UHFFFAOYSA-N
XLogP11.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.81
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
CID 140803296
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3-[3-[4,6-bis(4-tert-butylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209017
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 130326868
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
CID 138479348
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 158767431
10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858541
9-[2-(4-fluorophenyl)-4-pyridinyl]carbazole
CID 59546711
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole?
The IUPAC name of 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole (CID 140803300) is 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole is CC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccnc(-c3ccc(C(C)(C)C)cc3)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole?
The InChIKey is TZLJDZQVGQRQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N2/c1-42(2,3)34-18-12-30(13-19-34)33-17-23-41-38(27-33)37-26-32(29-10-8-7-9-11-29)16-22-40(37)45(41)36-24-25-44-39(28-36)31-14-20-35(21-15-31)43(4,5)6/h7-28H,1-6H3.
What are the key properties of 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole?
3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole has a molecular weight of 584.81 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole is sourced from PubChem (CID 140803300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).