1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine

C83H70N4O3 — CID 123541710

IUPAC1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
SMILESCOc1ccc(N(c2ccc(N(c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)-c2ccccc2C3C)cc1
InChIInChI=1S/C83H70N4O3/c1-54-70-15-9-10-16-72(70)77-51-64(39-48-71(54)77)85(61-33-42-67(88-6)43-34-61)58-27-21-55(22-28-58)84(56-23-29-59(30-24-56)86(62-35-44-68(89-7)45-36-62)65-40-49-75-73-17-11-13-19-78(73)82(2,3)80(75)52-65)57-25-31-60(32-26-57)87(63-37-46-69(90-8)47-38-63)66-41-50-76-74-18-12-14-20-79(74)83(4,5)81(76)53-66/h9-54H,1-8H3
InChIKeyOGYWAYSZOGOQFA-UHFFFAOYSA-N
MW1171.50 g/mol
LogP22.34
Rot. Bonds15

About 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine

1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine (PubChem CID 123541710) has the molecular formula C83H70N4O3 and a molecular weight of 1171.50 g/mol. Its IUPAC name is 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
PubChem CID123541710
Molecular FormulaC83H70N4O3
Molecular Weight1171.50 g/mol
Exact Mass1170.54
IUPAC Name1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
SMILESCOc1ccc(N(c2ccc(N(c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)-c2ccccc2C3C)cc1
InChIInChI=1S/C83H70N4O3/c1-54-70-15-9-10-16-72(70)77-51-64(39-48-71(54)77)85(61-33-42-67(88-6)43-34-61)58-27-21-55(22-28-58)84(56-23-29-59(30-24-56)86(62-35-44-68(89-7)45-36-62)65-40-49-75-73-17-11-13-19-78(73)82(2,3)80(75)52-65)57-25-31-60(32-26-57)87(63-37-46-69(90-8)47-38-63)66-41-50-76-74-18-12-14-20-79(74)83(4,5)81(76)53-66/h9-54H,1-8H3
InChIKeyOGYWAYSZOGOQFA-UHFFFAOYSA-N
XLogP22.34
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.50
LogP ≤ 522.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine with MolForge

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Related Compounds

N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
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
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 153431611
N-[4-[6-(N-(9,9-dimethylfluoren-2-yl)-4-methoxy-3-phenylanilino)-1,2,3-trimethyl-2,3-dihydroinden-1-yl]phenyl]-N-(4-methoxy-3-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 175472808
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
6-methoxy-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 137436609

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine (CID 123541710) is 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine is COc1ccc(N(c2ccc(N(c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)-c2ccccc2C3C)cc1.
What is the InChIKey of 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
The InChIKey is OGYWAYSZOGOQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H70N4O3/c1-54-70-15-9-10-16-72(70)77-51-64(39-48-71(54)77)85(61-33-42-67(88-6)43-34-61)58-27-21-55(22-28-58)84(56-23-29-59(30-24-56)86(62-35-44-68(89-7)45-36-62)65-40-49-75-73-17-11-13-19-78(73)82(2,3)80(75)52-65)57-25-31-60(32-26-57)87(63-37-46-69(90-8)47-38-63)66-41-50-76-74-18-12-14-20-79(74)83(4,5)81(76)53-66/h9-54H,1-8H3.
What are the key properties of 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine?
1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine has a molecular weight of 1171.50 g/mol, XLogP of 22.34, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 123541710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).