9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine

C64H48N2 — CID 142725357

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)N5c4ccccc4)cc3)cc21
InChIInChI=1S/C64H48N2/c1-63(2)59-29-17-15-27-55(59)57-41-40-54(44-61(57)63)65(51-36-31-46(32-37-51)45-19-7-3-8-20-45)52-38-33-47(34-39-52)48-35-42-62-58(43-48)56-28-16-18-30-60(56)64(49-21-9-4-10-22-49,50-23-11-5-12-24-50)66(62)53-25-13-6-14-26-53/h3-44H,1-2H3
InChIKeySPNGBVYSGVHUHA-UHFFFAOYSA-N
MW845.10 g/mol
LogP16.91
Rot. Bonds8

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine (PubChem CID 142725357) has the molecular formula C64H48N2 and a molecular weight of 845.10 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine
PubChem CID142725357
Molecular FormulaC64H48N2
Molecular Weight845.10 g/mol
Exact Mass844.38
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)N5c4ccccc4)cc3)cc21
InChIInChI=1S/C64H48N2/c1-63(2)59-29-17-15-27-55(59)57-41-40-54(44-61(57)63)65(51-36-31-46(32-37-51)45-19-7-3-8-20-45)52-38-33-47(34-39-52)48-35-42-62-58(43-48)56-28-16-18-30-60(56)64(49-21-9-4-10-22-49,50-23-11-5-12-24-50)66(62)53-25-13-6-14-26-53/h3-44H,1-2H3
InChIKeySPNGBVYSGVHUHA-UHFFFAOYSA-N
XLogP16.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.10
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
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-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine (CID 142725357) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)N5c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine?
The InChIKey is SPNGBVYSGVHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2/c1-63(2)59-29-17-15-27-55(59)57-41-40-54(44-61(57)63)65(51-36-31-46(32-37-51)45-19-7-3-8-20-45)52-38-33-47(34-39-52)48-35-42-62-58(43-48)56-28-16-18-30-60(56)64(49-21-9-4-10-22-49,50-23-11-5-12-24-50)66(62)53-25-13-6-14-26-53/h3-44H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine has a molecular weight of 845.10 g/mol, XLogP of 16.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 142725357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).