11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

C45H32N2 — CID 118487938

IUPAC11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cccc21
InChIInChI=1S/C45H32N2/c1-45(2)38-19-9-6-17-35(38)44-32(18-12-20-39(44)45)29-23-25-31(26-24-29)47-41-22-11-8-16-34(41)37-27-42-36(28-43(37)47)33-15-7-10-21-40(33)46(42)30-13-4-3-5-14-30/h3-28H,1-2H3
InChIKeyKUPYOPILSKTOAF-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.85
Rot. Bonds3

About 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 118487938) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID118487938
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cccc21
InChIInChI=1S/C45H32N2/c1-45(2)38-19-9-6-17-35(38)44-32(18-12-20-39(44)45)29-23-25-31(26-24-29)47-41-22-11-8-16-34(41)37-27-42-36(28-43(37)47)33-15-7-10-21-40(33)46(42)30-13-4-3-5-14-30/h3-28H,1-2H3
InChIKeyKUPYOPILSKTOAF-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-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 166960980
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
3-[4-(9,9-dimethylfluoren-4-yl)phenyl]-18,18,21,21-tetramethyl-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17(22),23-nonaene
CID 177086843
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
9,9-dimethyl-5-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155153906
6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole
CID 145327729
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
CID 59219726

Frequently Asked Questions

What is the IUPAC name of 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (CID 118487938) is 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is CC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cccc21.
What is the InChIKey of 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is KUPYOPILSKTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-45(2)38-19-9-6-17-35(38)44-32(18-12-20-39(44)45)29-23-25-31(26-24-29)47-41-22-11-8-16-34(41)37-27-42-36(28-43(37)47)33-15-7-10-21-40(33)46(42)30-13-4-3-5-14-30/h3-28H,1-2H3.
What are the key properties of 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 600.77 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 118487938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).