10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole

C48H43N — CID 145018290

IUPAC10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole
SMILESCc1cc2c(cc1-c1ccccc1C1CCC1)-c1cc3c4ccccc4n(-c4ccc(-c5ccc(C6CCC6)cc5)cc4)c3cc1C2(C)C
InChIInChI=1S/C48H43N/c1-30-26-44-41(27-40(30)38-15-5-4-14-37(38)35-12-9-13-35)42-28-43-39-16-6-7-17-46(39)49(47(43)29-45(42)48(44,2)3)36-24-22-34(23-25-36)33-20-18-32(19-21-33)31-10-8-11-31/h4-7,14-29,31,35H,8-13H2,1-3H3
InChIKeyJFSYVXXVZAYAEQ-UHFFFAOYSA-N
MW633.88 g/mol
LogP13.27
Rot. Bonds5

About 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole

10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole (PubChem CID 145018290) has the molecular formula C48H43N and a molecular weight of 633.88 g/mol. Its IUPAC name is 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole
PubChem CID145018290
Molecular FormulaC48H43N
Molecular Weight633.88 g/mol
Exact Mass633.34
IUPAC Name10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole
SMILESCc1cc2c(cc1-c1ccccc1C1CCC1)-c1cc3c4ccccc4n(-c4ccc(-c5ccc(C6CCC6)cc5)cc4)c3cc1C2(C)C
InChIInChI=1S/C48H43N/c1-30-26-44-41(27-40(30)38-15-5-4-14-37(38)35-12-9-13-35)42-28-43-39-16-6-7-17-46(39)49(47(43)29-45(42)48(44,2)3)36-24-22-34(23-25-36)33-20-18-32(19-21-33)31-10-8-11-31/h4-7,14-29,31,35H,8-13H2,1-3H3
InChIKeyJFSYVXXVZAYAEQ-UHFFFAOYSA-N
XLogP13.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.88
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
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
10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole
CID 145018196
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
5-[4-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90215623
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
CID 89375238
CID 89375238
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500

Frequently Asked Questions

What is the IUPAC name of 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole?
The IUPAC name of 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole (CID 145018290) is 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole?
The canonical SMILES for 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole is Cc1cc2c(cc1-c1ccccc1C1CCC1)-c1cc3c4ccccc4n(-c4ccc(-c5ccc(C6CCC6)cc5)cc4)c3cc1C2(C)C.
What is the InChIKey of 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole?
The InChIKey is JFSYVXXVZAYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43N/c1-30-26-44-41(27-40(30)38-15-5-4-14-37(38)35-12-9-13-35)42-28-43-39-16-6-7-17-46(39)49(47(43)29-45(42)48(44,2)3)36-24-22-34(23-25-36)33-20-18-32(19-21-33)31-10-8-11-31/h4-7,14-29,31,35H,8-13H2,1-3H3.
What are the key properties of 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole?
10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole has a molecular weight of 633.88 g/mol, XLogP of 13.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-cyclobutylphenyl)-5-[4-(4-cyclobutylphenyl)phenyl]-7,7,9-trimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 145018290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).