7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole

C57H42N2 — CID 123953451

IUPAC7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(C5=CCC6C(=C5)c5cc(-c7ccccc7)cc(-c7ccccc7)c5N6c5ccccc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H42N2/c1-57(2)51-26-16-15-25-44(51)46-35-49-47-31-39(27-29-53(47)58(55(49)36-52(46)57)42-21-11-5-12-22-42)40-28-30-54-48(32-40)50-34-41(37-17-7-3-8-18-37)33-45(38-19-9-4-10-20-38)56(50)59(54)43-23-13-6-14-24-43/h3-29,31-36,54H,30H2,1-2H3
InChIKeyVQISWMFVVRLHEK-UHFFFAOYSA-N
MW754.98 g/mol
LogP14.81
Rot. Bonds5

About 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole

7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole (PubChem CID 123953451) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole
PubChem CID123953451
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(C5=CCC6C(=C5)c5cc(-c7ccccc7)cc(-c7ccccc7)c5N6c5ccccc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H42N2/c1-57(2)51-26-16-15-25-44(51)46-35-49-47-31-39(27-29-53(47)58(55(49)36-52(46)57)42-21-11-5-12-22-42)40-28-30-54-48(32-40)50-34-41(37-17-7-3-8-18-37)33-45(38-19-9-4-10-20-38)56(50)59(54)43-23-13-6-14-24-43/h3-29,31-36,54H,30H2,1-2H3
InChIKeyVQISWMFVVRLHEK-UHFFFAOYSA-N
XLogP14.81
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
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-[9-(3-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 145080128
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
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
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole (CID 123953451) is 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(C5=CCC6C(=C5)c5cc(-c7ccccc7)cc(-c7ccccc7)c5N6c5ccccc5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole?
The InChIKey is VQISWMFVVRLHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)51-26-16-15-25-44(51)46-35-49-47-31-39(27-29-53(47)58(55(49)36-52(46)57)42-21-11-5-12-22-42)40-28-30-54-48(32-40)50-34-41(37-17-7-3-8-18-37)33-45(38-19-9-4-10-20-38)56(50)59(54)43-23-13-6-14-24-43/h3-29,31-36,54H,30H2,1-2H3.
What are the key properties of 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole?
7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole has a molecular weight of 754.98 g/mol, XLogP of 14.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 123953451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).