2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole

C53H50N4 — CID 155606627

IUPAC2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1ccc2c(c1)N(C)CN2c1cc(C(C)(C)C)cc(C2(c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C53H50N4/c1-34-21-24-47-49(27-34)55(8)33-56(47)39-29-37(52(5,6)7)28-38(30-39)53(44-18-12-9-15-40(44)41-16-10-13-19-45(41)53)36-22-23-43-42-17-11-14-20-46(42)57(48(43)31-36)50-32-35(25-26-54-50)51(2,3)4/h9-32H,33H2,1-8H3
InChIKeyDVVHOOBOEQGVPA-UHFFFAOYSA-N
MW743.01 g/mol
LogP12.99
Rot. Bonds4

About 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155606627) has the molecular formula C53H50N4 and a molecular weight of 743.01 g/mol. Its IUPAC name is 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID155606627
Molecular FormulaC53H50N4
Molecular Weight743.01 g/mol
Exact Mass742.40
IUPAC Name2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1ccc2c(c1)N(C)CN2c1cc(C(C)(C)C)cc(C2(c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C53H50N4/c1-34-21-24-47-49(27-34)55(8)33-56(47)39-29-37(52(5,6)7)28-38(30-39)53(44-18-12-9-15-40(44)41-16-10-13-19-45(41)53)36-22-23-43-42-17-11-14-20-46(42)57(48(43)31-36)50-32-35(25-26-54-50)51(2,3)4/h9-32H,33H2,1-8H3
InChIKeyDVVHOOBOEQGVPA-UHFFFAOYSA-N
XLogP12.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.01
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606511
2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606505
CID 167399482
CID 167399482
9-[4-tert-butyl-6-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-2-pyridinyl]carbazole
CID 155614495
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 167401631
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
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]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole
CID 172546048
9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole
CID 167401170
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
2-[[3-tert-butyl-5-(5-tert-butyl-3,6-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 171771527

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 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) is 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole is Cc1ccc2c(c1)N(C)CN2c1cc(C(C)(C)C)cc(C2(c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is DVVHOOBOEQGVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N4/c1-34-21-24-47-49(27-34)55(8)33-56(47)39-29-37(52(5,6)7)28-38(30-39)53(44-18-12-9-15-40(44)41-16-10-13-19-45(41)53)36-22-23-43-42-17-11-14-20-46(42)57(48(43)31-36)50-32-35(25-26-54-50)51(2,3)4/h9-32H,33H2,1-8H3.
What are the key properties of 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 743.01 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155606627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).