9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine

C60H44N2 — CID 134432391

IUPAC9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine
SMILESCC1(C2(C)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc32)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C60H44N2/c1-59(55-27-15-13-25-51(55)53-35-33-49(39-57(53)59)61(45-21-5-3-6-22-45)47-31-29-41-17-9-11-19-43(41)37-47)60(2)56-28-16-14-26-52(56)54-36-34-50(40-58(54)60)62(46-23-7-4-8-24-46)48-32-30-42-18-10-12-20-44(42)38-48/h3-40H,1-2H3
InChIKeyRPJSVBNBCWWPAA-UHFFFAOYSA-N
MW793.03 g/mol
LogP16.21
Rot. Bonds7

About 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine

9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine (PubChem CID 134432391) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine
PubChem CID134432391
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC Name9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine
SMILESCC1(C2(C)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc32)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C60H44N2/c1-59(55-27-15-13-25-51(55)53-35-33-49(39-57(53)59)61(45-21-5-3-6-22-45)47-31-29-41-17-9-11-19-43(41)37-47)60(2)56-28-16-14-26-52(56)54-36-34-50(40-58(54)60)62(46-23-7-4-8-24-46)48-32-30-42-18-10-12-20-44(42)38-48/h3-40H,1-2H3
InChIKeyRPJSVBNBCWWPAA-UHFFFAOYSA-N
XLogP16.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
CID 139978989
12,12,20,20-tetramethyl-N-naphthalen-2-yl-N,2,16-triphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaen-9-amine
CID 89024604
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
4-(4-cyano-N-[9-[2-(4-cyano-N-(4-cyanophenyl)anilino)-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]anilino)benzonitrile
CID 134442098
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
2-N-(9,9-dimethylfluoren-2-yl)-2-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]-6-N,6-N-diphenylnaphthalene-2,6-diamine
CID 163509487

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine?
The IUPAC name of 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine (CID 134432391) is 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine.
What is the SMILES notation for 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine?
The canonical SMILES for 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine is CC1(C2(C)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc32)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine?
The InChIKey is RPJSVBNBCWWPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-59(55-27-15-13-25-51(55)53-35-33-49(39-57(53)59)61(45-21-5-3-6-22-45)47-31-29-41-17-9-11-19-43(41)37-47)60(2)56-28-16-14-26-52(56)54-36-34-50(40-58(54)60)62(46-23-7-4-8-24-46)48-32-30-42-18-10-12-20-44(42)38-48/h3-40H,1-2H3.
What are the key properties of 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine?
9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine has a molecular weight of 793.03 g/mol, XLogP of 16.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine is sourced from PubChem (CID 134432391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).