9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole

C52H42N6 — CID 176871554

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(C(=C(c4ccccc4)c4ccccc4)c4cccc(N5CN(c6ccccc6)c6nccnc65)c4)cc32)c1
InChIInChI=1S/C52H42N6/c1-52(2,3)40-28-29-53-47(34-40)58-45-25-14-13-24-43(45)44-27-26-39(33-46(44)58)49(48(36-16-7-4-8-17-36)37-18-9-5-10-19-37)38-20-15-23-42(32-38)57-35-56(41-21-11-6-12-22-41)50-51(57)55-31-30-54-50/h4-34H,35H2,1-3H3
InChIKeyLGLWVYRYUBVWPB-UHFFFAOYSA-N
MW750.95 g/mol
LogP12.52
Rot. Bonds7

About 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole (PubChem CID 176871554) has the molecular formula C52H42N6 and a molecular weight of 750.95 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole
PubChem CID176871554
Molecular FormulaC52H42N6
Molecular Weight750.95 g/mol
Exact Mass750.35
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(C(=C(c4ccccc4)c4ccccc4)c4cccc(N5CN(c6ccccc6)c6nccnc65)c4)cc32)c1
InChIInChI=1S/C52H42N6/c1-52(2,3)40-28-29-53-47(34-40)58-45-25-14-13-24-43(45)44-27-26-39(33-46(44)58)49(48(36-16-7-4-8-17-36)37-18-9-5-10-19-37)38-20-15-23-42(32-38)57-35-56(41-21-11-6-12-22-41)50-51(57)55-31-30-54-50/h4-34H,35H2,1-3H3
InChIKeyLGLWVYRYUBVWPB-UHFFFAOYSA-N
XLogP12.52
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole
CID 176871591
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573
[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane
CID 155651075
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
2-N-[3-[1-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-2,2-dipyridin-2-ylethenyl]phenyl]-1-N-phenylbenzene-1,2-diamine
CID 176871528
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
2-[2,2-bis(3-methylimidazol-4-yl)-1-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethenyl]-9-pyridin-2-ylcarbazole
CID 176871630
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole
CID 176645144
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,6-dimethyl-4-phenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783142
2-[2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651337
2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783069
1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-phenyl-2H-[1]benzofuro[3,2-f]benzimidazole
CID 155794776

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole (CID 176871554) is 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(C(=C(c4ccccc4)c4ccccc4)c4cccc(N5CN(c6ccccc6)c6nccnc65)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole?
The InChIKey is LGLWVYRYUBVWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N6/c1-52(2,3)40-28-29-53-47(34-40)58-45-25-14-13-24-43(45)44-27-26-39(33-46(44)58)49(48(36-16-7-4-8-17-36)37-18-9-5-10-19-37)38-20-15-23-42(32-38)57-35-56(41-21-11-6-12-22-41)50-51(57)55-31-30-54-50/h4-34H,35H2,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole has a molecular weight of 750.95 g/mol, XLogP of 12.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]ethenyl]carbazole is sourced from PubChem (CID 176871554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).