2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole

C58H44N4 — CID 167401736

IUPAC2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
SMILESCC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(C4(c5cccc(N6CN(c7ccccc7)c7ccccc76)c5)c5ccccc5-c5ccccc54)cc32)c1
InChIInChI=1S/C58H44N4/c1-39(2)45-21-6-7-22-46(45)40-33-34-59-57(35-40)62-53-28-13-10-25-49(53)50-32-31-42(37-56(50)62)58(51-26-11-8-23-47(51)48-24-9-12-27-52(48)58)41-17-16-20-44(36-41)61-38-60(43-18-4-3-5-19-43)54-29-14-15-30-55(54)61/h3-37,39H,38H2,1-2H3
InChIKeyDVZJKRQPWXMPPC-UHFFFAOYSA-N
MW797.02 g/mol
LogP14.58
Rot. Bonds7

About 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole

2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole (PubChem CID 167401736) has the molecular formula C58H44N4 and a molecular weight of 797.02 g/mol. Its IUPAC name is 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
PubChem CID167401736
Molecular FormulaC58H44N4
Molecular Weight797.02 g/mol
Exact Mass796.36
IUPAC Name2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
SMILESCC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(C4(c5cccc(N6CN(c7ccccc7)c7ccccc76)c5)c5ccccc5-c5ccccc54)cc32)c1
InChIInChI=1S/C58H44N4/c1-39(2)45-21-6-7-22-46(45)40-33-34-59-57(35-40)62-53-28-13-10-25-49(53)50-32-31-42(37-56(50)62)58(51-26-11-8-23-47(51)48-24-9-12-27-52(48)58)41-17-16-20-44(36-41)61-38-60(43-18-4-3-5-19-43)54-29-14-15-30-55(54)61/h3-37,39H,38H2,1-2H3
InChIKeyDVZJKRQPWXMPPC-UHFFFAOYSA-N
XLogP14.58
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.02
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole
CID 167401969
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 167401631
9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole
CID 167401170
2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401803
dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
CID 167381737
1-[3-[9-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]fluoren-9-yl]phenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole
CID 162232036
2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167382062
9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole
CID 167401543
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)carbazole
CID 172545781
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-7-carbazol-9-yl-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole
CID 172545856
[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]silane
CID 167381579
5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazol-9-yl]pyridine-4-carbonitrile
CID 169288908

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole (CID 167401736) is 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole is CC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(C4(c5cccc(N6CN(c7ccccc7)c7ccccc76)c5)c5ccccc5-c5ccccc54)cc32)c1.
What is the InChIKey of 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The InChIKey is DVZJKRQPWXMPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4/c1-39(2)45-21-6-7-22-46(45)40-33-34-59-57(35-40)62-53-28-13-10-25-49(53)50-32-31-42(37-56(50)62)58(51-26-11-8-23-47(51)48-24-9-12-27-52(48)58)41-17-16-20-44(36-41)61-38-60(43-18-4-3-5-19-43)54-29-14-15-30-55(54)61/h3-37,39H,38H2,1-2H3.
What are the key properties of 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole has a molecular weight of 797.02 g/mol, XLogP of 14.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 167401736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).