N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine

C60H48N2 — CID 154935189

IUPACN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine
SMILESCC1(C)C2=CCCC=C2c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)c4ccccc4-6)cc3)ccc21
InChIInChI=1S/C60H48N2/c1-59(2)53-21-13-11-19-47(53)49-36-46(32-33-55(49)59)61(44-28-23-40(24-29-44)39-15-7-5-8-16-39)45-30-25-41(26-31-45)42-27-34-57-51(35-42)52-37-50-48-20-12-14-22-54(48)60(3,4)56(50)38-58(52)62(57)43-17-9-6-10-18-43/h5-10,12,14-38H,11,13H2,1-4H3
InChIKeyILNGYSKWLMMIMY-UHFFFAOYSA-N
MW797.06 g/mol
LogP16.29
Rot. Bonds6

About N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine

N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine (PubChem CID 154935189) has the molecular formula C60H48N2 and a molecular weight of 797.06 g/mol. Its IUPAC name is N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine.

Molecular Properties

Compound NameN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine
PubChem CID154935189
Molecular FormulaC60H48N2
Molecular Weight797.06 g/mol
Exact Mass796.38
IUPAC NameN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine
SMILESCC1(C)C2=CCCC=C2c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)c4ccccc4-6)cc3)ccc21
InChIInChI=1S/C60H48N2/c1-59(2)53-21-13-11-19-47(53)49-36-46(32-33-55(49)59)61(44-28-23-40(24-29-44)39-15-7-5-8-16-39)45-30-25-41(26-31-45)42-27-34-57-51(35-42)52-37-50-48-20-12-14-22-54(48)60(3,4)56(50)38-58(52)62(57)43-17-9-6-10-18-43/h5-10,12,14-38H,11,13H2,1-4H3
InChIKeyILNGYSKWLMMIMY-UHFFFAOYSA-N
XLogP16.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.06
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
9,9-dimethyl-N-[4-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-(4-methylphenyl)-6,7-dihydrofluoren-3-amine;ethane
CID 144519696
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine
CID 154935118
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385651
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-amine
CID 126702849
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine
CID 140910652

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine?
The IUPAC name of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine (CID 154935189) is N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine.
What is the SMILES notation for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine?
The canonical SMILES for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine is CC1(C)C2=CCCC=C2c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)c4ccccc4-6)cc3)ccc21.
What is the InChIKey of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine?
The InChIKey is ILNGYSKWLMMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2/c1-59(2)53-21-13-11-19-47(53)49-36-46(32-33-55(49)59)61(44-28-23-40(24-29-44)39-15-7-5-8-16-39)45-30-25-41(26-31-45)42-27-34-57-51(35-42)52-37-50-48-20-12-14-22-54(48)60(3,4)56(50)38-58(52)62(57)43-17-9-6-10-18-43/h5-10,12,14-38H,11,13H2,1-4H3.
What are the key properties of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine?
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine has a molecular weight of 797.06 g/mol, XLogP of 16.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine is sourced from PubChem (CID 154935189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).