5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole

C47H35N5 — CID 161111850

IUPAC5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole
SMILESCN1CN(c2cccc(-n3c4cc(-c5nc6ccccc6n5C)ccc4c4c(-c5ccc6c(c5)Cc5ccccc5-6)cccc43)c2)c2ccccc21
InChIInChI=1S/C47H35N5/c1-49-29-51(43-19-8-7-18-42(43)49)34-12-9-13-35(28-34)52-44-20-10-15-38(31-21-23-37-33(26-31)25-30-11-3-4-14-36(30)37)46(44)39-24-22-32(27-45(39)52)47-48-40-16-5-6-17-41(40)50(47)2/h3-24,26-28H,25,29H2,1-2H3
InChIKeyPZIVQXBEYSERGX-UHFFFAOYSA-N
MW669.83 g/mol
LogP11.12
Rot. Bonds4

About 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole

5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole (PubChem CID 161111850) has the molecular formula C47H35N5 and a molecular weight of 669.83 g/mol. Its IUPAC name is 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole
PubChem CID161111850
Molecular FormulaC47H35N5
Molecular Weight669.83 g/mol
Exact Mass669.29
IUPAC Name5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole
SMILESCN1CN(c2cccc(-n3c4cc(-c5nc6ccccc6n5C)ccc4c4c(-c5ccc6c(c5)Cc5ccccc5-6)cccc43)c2)c2ccccc21
InChIInChI=1S/C47H35N5/c1-49-29-51(43-19-8-7-18-42(43)49)34-12-9-13-35(28-34)52-44-20-10-15-38(31-21-23-37-33(26-31)25-30-11-3-4-14-36(30)37)46(44)39-24-22-32(27-45(39)52)47-48-40-16-5-6-17-41(40)50(47)2/h3-24,26-28H,25,29H2,1-2H3
InChIKeyPZIVQXBEYSERGX-UHFFFAOYSA-N
XLogP11.12
TPSA29.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole
CID 159360341
9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole
CID 153285355
9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-5-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole
CID 153285387
2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 142328728
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725
9-[7-(9H-fluoren-2-yl)-9H-fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285115
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 176782995
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole?
The IUPAC name of 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole (CID 161111850) is 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole.
What is the SMILES notation for 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole?
The canonical SMILES for 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole is CN1CN(c2cccc(-n3c4cc(-c5nc6ccccc6n5C)ccc4c4c(-c5ccc6c(c5)Cc5ccccc5-6)cccc43)c2)c2ccccc21.
What is the InChIKey of 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole?
The InChIKey is PZIVQXBEYSERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N5/c1-49-29-51(43-19-8-7-18-42(43)49)34-12-9-13-35(28-34)52-44-20-10-15-38(31-21-23-37-33(26-31)25-30-11-3-4-14-36(30)37)46(44)39-24-22-32(27-45(39)52)47-48-40-16-5-6-17-41(40)50(47)2/h3-24,26-28H,25,29H2,1-2H3.
What are the key properties of 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole?
5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole has a molecular weight of 669.83 g/mol, XLogP of 11.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 161111850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).