6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole

C41H30N2 — CID 118316130

IUPAC6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)cc3)cc21
InChIInChI=1S/C41H30N2/c1-41(2)35-14-8-6-12-31(35)32-21-18-28(26-36(32)41)27-16-19-30(20-17-27)43-38-15-9-7-13-33(38)40-34-24-25-42(29-10-4-3-5-11-29)37(34)22-23-39(40)43/h3-26H,1-2H3
InChIKeyFXLGGNREESXOME-UHFFFAOYSA-N
MW550.71 g/mol
LogP10.70
Rot. Bonds3

About 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole

6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole (PubChem CID 118316130) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
PubChem CID118316130
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)cc3)cc21
InChIInChI=1S/C41H30N2/c1-41(2)35-14-8-6-12-31(35)32-21-18-28(26-36(32)41)27-16-19-30(20-17-27)43-38-15-9-7-13-33(38)40-34-24-25-42(29-10-4-3-5-11-29)37(34)22-23-39(40)43/h3-26H,1-2H3
InChIKeyFXLGGNREESXOME-UHFFFAOYSA-N
XLogP10.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,14-bis(4-phenylphenyl)-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;9-(9,9-dimethylfluoren-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;9,14-diphenyl-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;9-phenyl-14-(4-phenylphenyl)-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 162005580
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[2,3-c]carbazole
CID 161056569
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
9-[9-methyl-9-(trideuteriomethyl)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 122595599
4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334819
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
N-[4-(14,19-diphenyl-3,14,19-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,20]tricosa-1(13),2(10),4,6,8,11,15(23),16(20),17,21-decaen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90267330
9-(9,9-dimethylfluoren-2-yl)-14-methyl-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 126501110
9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 163861870
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118316102

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole (CID 118316130) is 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole.
What is the SMILES notation for 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The canonical SMILES for 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)cc3)cc21.
What is the InChIKey of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
The InChIKey is FXLGGNREESXOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-41(2)35-14-8-6-12-31(35)32-21-18-28(26-36(32)41)27-16-19-30(20-17-27)43-38-15-9-7-13-33(38)40-34-24-25-42(29-10-4-3-5-11-29)37(34)22-23-39(40)43/h3-26H,1-2H3.
What are the key properties of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole?
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole has a molecular weight of 550.71 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole is sourced from PubChem (CID 118316130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).