5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole

C41H31N — CID 131973274

IUPAC5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc5c(cc43)C(C)(c3ccccc3)c3ccccc3-5)ccc21
InChIInChI=1S/C41H31N/c1-40(2)34-18-10-7-15-28(34)31-23-27(21-22-35(31)40)42-38-20-12-9-17-30(38)33-24-32-29-16-8-11-19-36(29)41(3,37(32)25-39(33)42)26-13-5-4-6-14-26/h4-25H,1-3H3
InChIKeyIOGWBZZQSWCTPL-UHFFFAOYSA-N
MW537.71 g/mol
LogP10.42
Rot. Bonds2

About 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole

5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole (PubChem CID 131973274) has the molecular formula C41H31N and a molecular weight of 537.71 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole
PubChem CID131973274
Molecular FormulaC41H31N
Molecular Weight537.71 g/mol
Exact Mass537.25
IUPAC Name5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc5c(cc43)C(C)(c3ccccc3)c3ccccc3-5)ccc21
InChIInChI=1S/C41H31N/c1-40(2)34-18-10-7-15-28(34)31-23-27(21-22-35(31)40)42-38-20-12-9-17-30(38)33-24-32-29-16-8-11-19-36(29)41(3,37(32)25-39(33)42)26-13-5-4-6-14-26/h4-25H,1-3H3
InChIKeyIOGWBZZQSWCTPL-UHFFFAOYSA-N
XLogP10.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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
12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
9-(4-carbazol-9-ylphenyl)-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-(9,9-dimethylfluoren-3-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-(9-phenylcarbazol-3-yl)-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 158410726
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole?
The IUPAC name of 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole (CID 131973274) is 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc5c(cc43)C(C)(c3ccccc3)c3ccccc3-5)ccc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole?
The InChIKey is IOGWBZZQSWCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N/c1-40(2)34-18-10-7-15-28(34)31-23-27(21-22-35(31)40)42-38-20-12-9-17-30(38)33-24-32-29-16-8-11-19-36(29)41(3,37(32)25-39(33)42)26-13-5-4-6-14-26/h4-25H,1-3H3.
What are the key properties of 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole?
5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole has a molecular weight of 537.71 g/mol, XLogP of 10.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 131973274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).