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

C37H36N2 — CID 140803296

IUPAC3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(C(C)(C)C)ccc43)ccn2)cc1
InChIInChI=1S/C37H36N2/c1-36(2,3)28-15-12-26(13-16-28)33-24-30(20-21-38-33)39-34-18-14-27(25-10-8-7-9-11-25)22-31(34)32-23-29(37(4,5)6)17-19-35(32)39/h7-24H,1-6H3
InChIKeyUCTQBKLTWSUTCX-UHFFFAOYSA-N
MW508.71 g/mol
LogP10.11
Rot. Bonds3

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

3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole (PubChem CID 140803296) has the molecular formula C37H36N2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
PubChem CID140803296
Molecular FormulaC37H36N2
Molecular Weight508.71 g/mol
Exact Mass508.29
IUPAC Name3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(C(C)(C)C)ccc43)ccn2)cc1
InChIInChI=1S/C37H36N2/c1-36(2,3)28-15-12-26(13-16-28)33-24-30(20-21-38-33)39-34-18-14-27(25-10-8-7-9-11-25)22-31(34)32-23-29(37(4,5)6)17-19-35(32)39/h7-24H,1-6H3
InChIKeyUCTQBKLTWSUTCX-UHFFFAOYSA-N
XLogP10.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
CID 140803300
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
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
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
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
3,6-bis(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 159534623
3-tert-butyl-9-[4-tert-butyl-3-[6-[2-[2-tert-butyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 123277153
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-(2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 144790583
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole?
The IUPAC name of 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole (CID 140803296) is 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole.
What is the SMILES notation for 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole?
The canonical SMILES for 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole is CC(C)(C)c1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(C(C)(C)C)ccc43)ccn2)cc1.
What is the InChIKey of 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole?
The InChIKey is UCTQBKLTWSUTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2/c1-36(2,3)28-15-12-26(13-16-28)33-24-30(20-21-38-33)39-34-18-14-27(25-10-8-7-9-11-25)22-31(34)32-23-29(37(4,5)6)17-19-35(32)39/h7-24H,1-6H3.
What are the key properties of 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole?
3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole has a molecular weight of 508.71 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole is sourced from PubChem (CID 140803296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).