1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine

C61H45N3O — CID 154966647

IUPAC1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C61H45N3O/c1-7-23-48(24-8-1)62(49-25-9-2-10-26-49)54-41-39-46(40-42-54)61(57-35-19-21-37-59(57)65-60-38-22-20-36-58(60)61)47-43-55(63(50-27-11-3-12-28-50)51-29-13-4-14-30-51)45-56(44-47)64(52-31-15-5-16-32-52)53-33-17-6-18-34-53/h1-45H
InChIKeyJNADWWCWZHFWKP-UHFFFAOYSA-N
MW836.05 g/mol
LogP16.58
Rot. Bonds11

About 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine (PubChem CID 154966647) has the molecular formula C61H45N3O and a molecular weight of 836.05 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine
PubChem CID154966647
Molecular FormulaC61H45N3O
Molecular Weight836.05 g/mol
Exact Mass835.36
IUPAC Name1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C61H45N3O/c1-7-23-48(24-8-1)62(49-25-9-2-10-26-49)54-41-39-46(40-42-54)61(57-35-19-21-37-59(57)65-60-38-22-20-36-58(60)61)47-43-55(63(50-27-11-3-12-28-50)51-29-13-4-14-30-51)45-56(44-47)64(52-31-15-5-16-32-52)53-33-17-6-18-34-53/h1-45H
InChIKeyJNADWWCWZHFWKP-UHFFFAOYSA-N
XLogP16.58
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.05
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 90153719
4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline
CID 90154272
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
9-phenyl-9-tetraphenylen-2-ylxanthene
CID 134164717

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine (CID 154966647) is 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2ccc(C3(c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine?
The InChIKey is JNADWWCWZHFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N3O/c1-7-23-48(24-8-1)62(49-25-9-2-10-26-49)54-41-39-46(40-42-54)61(57-35-19-21-37-59(57)65-60-38-22-20-36-58(60)61)47-43-55(63(50-27-11-3-12-28-50)51-29-13-4-14-30-51)45-56(44-47)64(52-31-15-5-16-32-52)53-33-17-6-18-34-53/h1-45H.
What are the key properties of 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine has a molecular weight of 836.05 g/mol, XLogP of 16.58, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine is sourced from PubChem (CID 154966647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).