N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C53H42N2 — CID 137397109

IUPACN-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2C2C1c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1N2c1ccccc1
InChIInChI=1S/C53H42N2/c1-53(2)49-21-13-12-20-47(49)52-51(53)48-36-42(28-35-50(48)55(52)43-18-10-5-11-19-43)41-26-33-46(34-27-41)54(44-29-22-39(23-30-44)37-14-6-3-7-15-37)45-31-24-40(25-32-45)38-16-8-4-9-17-38/h3-36,51-52H,1-2H3
InChIKeyHTFMKNHZZGZMKC-UHFFFAOYSA-N
MW706.93 g/mol
LogP14.43
Rot. Bonds7

About N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 137397109) has the molecular formula C53H42N2 and a molecular weight of 706.93 g/mol. Its IUPAC name is N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID137397109
Molecular FormulaC53H42N2
Molecular Weight706.93 g/mol
Exact Mass706.33
IUPAC NameN-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2C2C1c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1N2c1ccccc1
InChIInChI=1S/C53H42N2/c1-53(2)49-21-13-12-20-47(49)52-51(53)48-36-42(28-35-50(48)55(52)43-18-10-5-11-19-43)41-26-33-46(34-27-41)54(44-29-22-39(23-30-44)37-14-6-3-7-15-37)45-31-24-40(25-32-45)38-16-8-4-9-17-38/h3-36,51-52H,1-2H3
InChIKeyHTFMKNHZZGZMKC-UHFFFAOYSA-N
XLogP14.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.93
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90215962
8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole
CID 121298718
N-[4-[2-[(Z)-but-1-en-3-ynyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154950141
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 137493655
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[4-[9,9-dimethyl-7-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)fluoren-2-yl]phenyl]-9-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 137443923
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 137397109) is N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2C2C1c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc1N2c1ccccc1.
What is the InChIKey of N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HTFMKNHZZGZMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2/c1-53(2)49-21-13-12-20-47(49)52-51(53)48-36-42(28-35-50(48)55(52)43-18-10-5-11-19-43)41-26-33-46(34-27-41)54(44-29-22-39(23-30-44)37-14-6-3-7-15-37)45-31-24-40(25-32-45)38-16-8-4-9-17-38/h3-36,51-52H,1-2H3.
What are the key properties of N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 706.93 g/mol, XLogP of 14.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 137397109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).