5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole

C49H40N2 — CID 118042341

IUPAC5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)cc4)cc32)cc1
InChIInChI=1S/C49H40N2/c1-48(2,3)33-21-25-35(26-22-33)50-44-16-10-7-13-37(44)39-27-20-32(28-46(39)50)31-18-23-34(24-19-31)51-45-17-11-8-14-38(45)41-29-43-40(30-47(41)51)36-12-6-9-15-42(36)49(43,4)5/h6-30H,1-5H3
InChIKeyNCFBBGCRQNIHTI-UHFFFAOYSA-N
MW656.87 g/mol
LogP13.15
Rot. Bonds3

About 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole

5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 118042341) has the molecular formula C49H40N2 and a molecular weight of 656.87 g/mol. Its IUPAC name is 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID118042341
Molecular FormulaC49H40N2
Molecular Weight656.87 g/mol
Exact Mass656.32
IUPAC Name5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)cc4)cc32)cc1
InChIInChI=1S/C49H40N2/c1-48(2,3)33-21-25-35(26-22-33)50-44-16-10-7-13-37(44)39-27-20-32(28-46(39)50)31-18-23-34(24-19-31)51-45-17-11-8-14-38(45)41-29-43-40(30-47(41)51)36-12-6-9-15-42(36)49(43,4)5/h6-30H,1-5H3
InChIKeyNCFBBGCRQNIHTI-UHFFFAOYSA-N
XLogP13.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
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
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
CID 159087841
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227

Frequently Asked Questions

What is the IUPAC name of 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole (CID 118042341) is 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)cc4)cc32)cc1.
What is the InChIKey of 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is NCFBBGCRQNIHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N2/c1-48(2,3)33-21-25-35(26-22-33)50-44-16-10-7-13-37(44)39-27-20-32(28-46(39)50)31-18-23-34(24-19-31)51-45-17-11-8-14-38(45)41-29-43-40(30-47(41)51)36-12-6-9-15-42(36)49(43,4)5/h6-30H,1-5H3.
What are the key properties of 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 656.87 g/mol, XLogP of 13.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 118042341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).