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

C50H36N4 — CID 167401631

IUPAC2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
SMILES[2H]C([2H])([2H])c1ccnc(-n2c3ccccc3c3ccc(C4(c5cccc(N6CN(c7ccccc7)c7ccccc76)c5)c5ccccc5-c5ccccc54)cc32)c1
InChIInChI=1S/C50H36N4/c1-34-28-29-51-49(30-34)54-45-23-10-7-20-41(45)42-27-26-36(32-48(42)54)50(43-21-8-5-18-39(43)40-19-6-9-22-44(40)50)35-14-13-17-38(31-35)53-33-52(37-15-3-2-4-16-37)46-24-11-12-25-47(46)53/h2-32H,33H2,1H3/i1D3
InChIKeyYTQPTWPXMJZXSL-FIBGUPNXSA-N
MW695.88 g/mol
LogP12.10
Rot. Bonds6

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

2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole (PubChem CID 167401631) has the molecular formula C50H36N4 and a molecular weight of 695.88 g/mol. Its IUPAC name is 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
PubChem CID167401631
Molecular FormulaC50H36N4
Molecular Weight695.88 g/mol
Exact Mass695.31
IUPAC Name2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
SMILES[2H]C([2H])([2H])c1ccnc(-n2c3ccccc3c3ccc(C4(c5cccc(N6CN(c7ccccc7)c7ccccc76)c5)c5ccccc5-c5ccccc54)cc32)c1
InChIInChI=1S/C50H36N4/c1-34-28-29-51-49(30-34)54-45-23-10-7-20-41(45)42-27-26-36(32-48(42)54)50(43-21-8-5-18-39(43)40-19-6-9-22-44(40)50)35-14-13-17-38(31-35)53-33-52(37-15-3-2-4-16-37)46-24-11-12-25-47(46)53/h2-32H,33H2,1H3/i1D3
InChIKeyYTQPTWPXMJZXSL-FIBGUPNXSA-N
XLogP12.10
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.88
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401736
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
9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole
CID 167401170
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-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
CID 162704363
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
dimethyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(trideuteriomethyl)-2-pyridinyl]carbazol-2-yl]silane
CID 167382912
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-[9-[3-tert-butyl-5-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606679
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
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole
CID 167399526
2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606627

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole (CID 167401631) is 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole is [2H]C([2H])([2H])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-(trideuteriomethyl)-2-pyridinyl]carbazole?
The InChIKey is YTQPTWPXMJZXSL-FIBGUPNXSA-N. The full InChI is InChI=1S/C50H36N4/c1-34-28-29-51-49(30-34)54-45-23-10-7-20-41(45)42-27-26-36(32-48(42)54)50(43-21-8-5-18-39(43)40-19-6-9-22-44(40)50)35-14-13-17-38(31-35)53-33-52(37-15-3-2-4-16-37)46-24-11-12-25-47(46)53/h2-32H,33H2,1H3/i1D3.
What are the key properties of 2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole?
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole has a molecular weight of 695.88 g/mol, XLogP of 12.10, 6 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-(trideuteriomethyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 167401631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).