7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole

C54H42N2 — CID 118013987

IUPAC7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole
SMILESCc1cc(C)c(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c(C)c1
InChIInChI=1S/C54H42N2/c1-33-27-34(2)53(35(3)28-33)56-51-26-24-39(30-45(51)46-31-43-41-15-9-11-17-47(41)54(4,5)48(43)32-52(46)56)37-21-19-36(20-22-37)38-23-25-50-44(29-38)42-16-10-12-18-49(42)55(50)40-13-7-6-8-14-40/h6-32H,1-5H3
InChIKeyBLMVOSQBMBGLNJ-UHFFFAOYSA-N
MW718.94 g/mol
LogP14.45
Rot. Bonds4

About 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole

7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole (PubChem CID 118013987) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole
PubChem CID118013987
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole
SMILESCc1cc(C)c(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c(C)c1
InChIInChI=1S/C54H42N2/c1-33-27-34(2)53(35(3)28-33)56-51-26-24-39(30-45(51)46-31-43-41-15-9-11-17-47(41)54(4,5)48(43)32-52(46)56)37-21-19-36(20-22-37)38-23-25-50-44(29-38)42-16-10-12-18-49(42)55(50)40-13-7-6-8-14-40/h6-32H,1-5H3
InChIKeyBLMVOSQBMBGLNJ-UHFFFAOYSA-N
XLogP14.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
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
5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole
CID 118013993
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
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole (CID 118013987) is 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole is Cc1cc(C)c(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c(C)c1.
What is the InChIKey of 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole?
The InChIKey is BLMVOSQBMBGLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-33-27-34(2)53(35(3)28-33)56-51-26-24-39(30-45(51)46-31-43-41-15-9-11-17-47(41)54(4,5)48(43)32-52(46)56)37-21-19-36(20-22-37)38-23-25-50-44(29-38)42-16-10-12-18-49(42)55(50)40-13-7-6-8-14-40/h6-32H,1-5H3.
What are the key properties of 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole?
7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole has a molecular weight of 718.94 g/mol, XLogP of 14.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole is sourced from PubChem (CID 118013987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).