1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole

C76H54N4 — CID 176643524

IUPAC1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole
SMILESCc1cc(C)c(-c2cccc3[nH]c4c(-c5nc6c(-c7cccc(C8(c9cc(-c%10ccccc%10)ccn9)c9ccccc9-c9ccccc98)c7)ccc(-c7ccccc7)c6n5-c5ccccc5)cc(-c5ccccc5)cc4c23)c(C)c1
InChIInChI=1S/C76H54N4/c1-48-42-49(2)70(50(3)43-48)63-34-21-37-68-71(63)64-45-56(52-24-10-5-11-25-52)46-65(72(64)78-68)75-79-73-59(38-39-60(53-26-12-6-13-27-53)74(73)80(75)58-30-14-7-15-31-58)55-28-20-29-57(44-55)76(69-47-54(40-41-77-69)51-22-8-4-9-23-51)66-35-18-16-32-61(66)62-33-17-19-36-67(62)76/h4-47,78H,1-3H3
InChIKeyNBNXEEMRFLJDBR-UHFFFAOYSA-N
MW1023.30 g/mol
LogP19.35
Rot. Bonds9

About 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole

1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole (PubChem CID 176643524) has the molecular formula C76H54N4 and a molecular weight of 1023.30 g/mol. Its IUPAC name is 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole.

Molecular Properties

Compound Name1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole
PubChem CID176643524
Molecular FormulaC76H54N4
Molecular Weight1023.30 g/mol
Exact Mass1022.43
IUPAC Name1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole
SMILESCc1cc(C)c(-c2cccc3[nH]c4c(-c5nc6c(-c7cccc(C8(c9cc(-c%10ccccc%10)ccn9)c9ccccc9-c9ccccc98)c7)ccc(-c7ccccc7)c6n5-c5ccccc5)cc(-c5ccccc5)cc4c23)c(C)c1
InChIInChI=1S/C76H54N4/c1-48-42-49(2)70(50(3)43-48)63-34-21-37-68-71(63)64-45-56(52-24-10-5-11-25-52)46-65(72(64)78-68)75-79-73-59(38-39-60(53-26-12-6-13-27-53)74(73)80(75)58-30-14-7-15-31-58)55-28-20-29-57(44-55)76(69-47-54(40-41-77-69)51-22-8-4-9-23-51)66-35-18-16-32-61(66)62-33-17-19-36-67(62)76/h4-47,78H,1-3H3
InChIKeyNBNXEEMRFLJDBR-UHFFFAOYSA-N
XLogP19.35
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.30
LogP ≤ 519.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole with MolForge

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Related Compounds

2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
3,6-ditert-butyl-1-[1-(4-tert-butylphenyl)-4-[3-(9-phenylfluoren-9-yl)phenyl]benzimidazol-2-yl]-9H-carbazole
CID 176642568
4-phenyl-2-[2-(9-phenylfluoren-9-yl)-4-pyridinyl]-6-(3-phenylphenyl)pyridine
CID 142356444
5,5-dimethyl-10-[3-[2-(3-phenyl-9H-carbazol-1-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]phenyl]benzo[b][1,8]naphthyridine
CID 176643463
9,9-dimethyl-3-[6-methyl-1-phenyl-2-[4-(2,4,6-trimethylphenyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridine
CID 176643108
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[1-(4-methylphenyl)-2-(3-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]carbazole
CID 176643042
2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077
1-[3-(9-phenylfluoren-9-yl)phenyl]-9H-carbazole
CID 154322481
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[2-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[2-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 157192267
3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
CID 176643376
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590665
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590548

Frequently Asked Questions

What is the IUPAC name of 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole?
The IUPAC name of 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole (CID 176643524) is 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole.
What is the SMILES notation for 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole?
The canonical SMILES for 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole is Cc1cc(C)c(-c2cccc3[nH]c4c(-c5nc6c(-c7cccc(C8(c9cc(-c%10ccccc%10)ccn9)c9ccccc9-c9ccccc98)c7)ccc(-c7ccccc7)c6n5-c5ccccc5)cc(-c5ccccc5)cc4c23)c(C)c1.
What is the InChIKey of 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole?
The InChIKey is NBNXEEMRFLJDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N4/c1-48-42-49(2)70(50(3)43-48)63-34-21-37-68-71(63)64-45-56(52-24-10-5-11-25-52)46-65(72(64)78-68)75-79-73-59(38-39-60(53-26-12-6-13-27-53)74(73)80(75)58-30-14-7-15-31-58)55-28-20-29-57(44-55)76(69-47-54(40-41-77-69)51-22-8-4-9-23-51)66-35-18-16-32-61(66)62-33-17-19-36-67(62)76/h4-47,78H,1-3H3.
What are the key properties of 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole?
1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole has a molecular weight of 1023.30 g/mol, XLogP of 19.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,7-diphenyl-4-[3-[9-(4-phenyl-2-pyridinyl)fluoren-9-yl]phenyl]benzimidazol-2-yl]-3-phenyl-5-(2,4,6-trimethylphenyl)-9H-carbazole is sourced from PubChem (CID 176643524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).