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

C63H44N2 — CID 89472227

IUPAC7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccccc6)cc5)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C63H44N2/c1-63(2)57-21-13-12-20-51(57)52-39-56-55-38-48(28-35-61(55)65(62(56)40-58(52)63)50-31-24-45(25-32-50)42-16-8-4-9-17-42)47-27-34-60-54(37-47)53-36-46(43-18-10-5-11-19-43)26-33-59(53)64(60)49-29-22-44(23-30-49)41-14-6-3-7-15-41/h3-40H,1-2H3
InChIKeyOWSZROHMGCHWDU-UHFFFAOYSA-N
MW829.06 g/mol
LogP16.86
Rot. Bonds6

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

7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole (PubChem CID 89472227) has the molecular formula C63H44N2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
PubChem CID89472227
Molecular FormulaC63H44N2
Molecular Weight829.06 g/mol
Exact Mass828.35
IUPAC Name7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccccc6)cc5)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C63H44N2/c1-63(2)57-21-13-12-20-51(57)52-39-56-55-38-48(28-35-61(55)65(62(56)40-58(52)63)50-31-24-45(25-32-50)42-16-8-4-9-17-42)47-27-34-60-54(37-47)53-36-46(43-18-10-5-11-19-43)26-33-59(53)64(60)49-29-22-44(23-30-49)41-14-6-3-7-15-41/h3-40H,1-2H3
InChIKeyOWSZROHMGCHWDU-UHFFFAOYSA-N
XLogP16.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.06
LogP ≤ 516.86
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
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-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole (CID 89472227) is 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccccc6)cc5)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole?
The InChIKey is OWSZROHMGCHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2/c1-63(2)57-21-13-12-20-51(57)52-39-56-55-38-48(28-35-61(55)65(62(56)40-58(52)63)50-31-24-45(25-32-50)42-16-8-4-9-17-42)47-27-34-60-54(37-47)53-36-46(43-18-10-5-11-19-43)26-33-59(53)64(60)49-29-22-44(23-30-49)41-14-6-3-7-15-41/h3-40H,1-2H3.
What are the key properties of 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole has a molecular weight of 829.06 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 89472227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).