N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline

C49H48N2 — CID 162284894

IUPACN,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(C3CCC4CC5CCC(c6ccc(N(c7ccccc7)c7ccccc7)cc6)CC5C4C3)cc2)cc1
InChIInChI=1S/C49H48N2/c1-5-13-42(14-6-1)50(43-15-7-2-8-16-43)46-29-25-36(26-30-46)38-21-23-40-33-41-24-22-39(35-49(41)48(40)34-38)37-27-31-47(32-28-37)51(44-17-9-3-10-18-44)45-19-11-4-12-20-45/h1-20,25-32,38-41,48-49H,21-24,33-35H2
InChIKeyXYWGRTXTQGRJHD-UHFFFAOYSA-N
MW664.94 g/mol
LogP13.73
Rot. Bonds8

About N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline

N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline (PubChem CID 162284894) has the molecular formula C49H48N2 and a molecular weight of 664.94 g/mol. Its IUPAC name is N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline
PubChem CID162284894
Molecular FormulaC49H48N2
Molecular Weight664.94 g/mol
Exact Mass664.38
IUPAC NameN,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(C3CCC4CC5CCC(c6ccc(N(c7ccccc7)c7ccccc7)cc6)CC5C4C3)cc2)cc1
InChIInChI=1S/C49H48N2/c1-5-13-42(14-6-1)50(43-15-7-2-8-16-43)46-29-25-36(26-30-46)38-21-23-40-33-41-24-22-39(35-49(41)48(40)34-38)37-27-31-47(32-28-37)51(44-17-9-3-10-18-44)45-19-11-4-12-20-45/h1-20,25-32,38-41,48-49H,21-24,33-35H2
InChIKeyXYWGRTXTQGRJHD-UHFFFAOYSA-N
XLogP13.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.94
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline with MolForge

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Related Compounds

4-N-[4-(4-cyclopropylphenyl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 54264729
9-N,9-N,10-N,10-N-tetrakis[4-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]phenyl]anthracene-9,10-diamine
CID 22886967
3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
CID 177098600
4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine
CID 162284918
N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline
CID 22886942
6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032183
2-(N-(4-cyclohexylphenyl)anilino)phenol
CID 22356901
benzene;cyclopropylbenzene
CID 144638417
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N,N-diphenylaniline;silane
CID 131739129
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline (CID 162284894) is N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(C3CCC4CC5CCC(c6ccc(N(c7ccccc7)c7ccccc7)cc6)CC5C4C3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline?
The InChIKey is XYWGRTXTQGRJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H48N2/c1-5-13-42(14-6-1)50(43-15-7-2-8-16-43)46-29-25-36(26-30-46)38-21-23-40-33-41-24-22-39(35-49(41)48(40)34-38)37-27-31-47(32-28-37)51(44-17-9-3-10-18-44)45-19-11-4-12-20-45/h1-20,25-32,38-41,48-49H,21-24,33-35H2.
What are the key properties of N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline?
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline has a molecular weight of 664.94 g/mol, XLogP of 13.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline is sourced from PubChem (CID 162284894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).