10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole

C51H34N2 — CID 118316180

IUPAC10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c23)cc1
InChIInChI=1S/C51H34N2/c1-5-17-35(18-6-1)45-34-52(38-23-11-4-12-24-38)49-44(45)32-31-43-42-26-14-16-28-48(42)53(50(43)49)39-29-30-41-40-25-13-15-27-46(40)51(47(41)33-39,36-19-7-2-8-20-36)37-21-9-3-10-22-37/h1-34H
InChIKeyWZCMPXARSMGTJU-UHFFFAOYSA-N
MW674.85 g/mol
LogP12.76
Rot. Bonds5

About 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole

10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole (PubChem CID 118316180) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole
PubChem CID118316180
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c23)cc1
InChIInChI=1S/C51H34N2/c1-5-17-35(18-6-1)45-34-52(38-23-11-4-12-24-38)49-44(45)32-31-43-42-26-14-16-28-48(42)53(50(43)49)39-29-30-41-40-25-13-15-27-46(40)51(47(41)33-39,36-19-7-2-8-20-36)37-21-9-3-10-22-37/h1-34H
InChIKeyWZCMPXARSMGTJU-UHFFFAOYSA-N
XLogP12.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118315743
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-(9,9-diphenylfluoren-2-yl)-2-[3-(3-methylphenyl)phenyl]carbazole
CID 90215950
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965403
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 155004211
1,3-diphenyl-10-[3-phenyl-5-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315801

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole?
The IUPAC name of 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole (CID 118316180) is 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole is c1ccc(-c2cn(-c3ccccc3)c3c2ccc2c4ccccc4n(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c23)cc1.
What is the InChIKey of 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole?
The InChIKey is WZCMPXARSMGTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-5-17-35(18-6-1)45-34-52(38-23-11-4-12-24-38)49-44(45)32-31-43-42-26-14-16-28-48(42)53(50(43)49)39-29-30-41-40-25-13-15-27-46(40)51(47(41)33-39,36-19-7-2-8-20-36)37-21-9-3-10-22-37/h1-34H.
What are the key properties of 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole?
10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole has a molecular weight of 674.85 g/mol, XLogP of 12.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-diphenylfluoren-2-yl)-1,3-diphenylpyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118316180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).