N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C62H45NO — CID 118081268

IUPACN-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC1(c2ccccc2)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)c2Oc2c1ccc1c2-c2ccccc2C1(C)c1ccccc1
InChIInChI=1S/C62H45NO/c1-61(46-22-8-4-9-23-46)53-29-15-14-27-52(53)58-54(61)40-41-56-60(58)64-59-51(28-17-30-55(59)62(56,2)47-24-10-5-11-25-47)45-34-38-49(39-35-45)63(57-31-16-21-44-20-12-13-26-50(44)57)48-36-32-43(33-37-48)42-18-6-3-7-19-42/h3-41H,1-2H3
InChIKeyNKEWFZTZSBYRRM-UHFFFAOYSA-N
MW820.05 g/mol
LogP16.44
Rot. Bonds7

About N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 118081268) has the molecular formula C62H45NO and a molecular weight of 820.05 g/mol. Its IUPAC name is N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID118081268
Molecular FormulaC62H45NO
Molecular Weight820.05 g/mol
Exact Mass819.35
IUPAC NameN-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC1(c2ccccc2)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)c2Oc2c1ccc1c2-c2ccccc2C1(C)c1ccccc1
InChIInChI=1S/C62H45NO/c1-61(46-22-8-4-9-23-46)53-29-15-14-27-52(53)58-54(61)40-41-56-60(58)64-59-51(28-17-30-55(59)62(56,2)47-24-10-5-11-25-47)45-34-38-49(39-35-45)63(57-31-16-21-44-20-12-13-26-50(44)57)48-36-32-43(33-37-48)42-18-6-3-7-19-42/h3-41H,1-2H3
InChIKeyNKEWFZTZSBYRRM-UHFFFAOYSA-N
XLogP16.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.05
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020096
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291648
N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine
CID 118081266
N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzothiasilin-1-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,8-dimethyl-5,8-diphenylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]thioxanthen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157137300
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 139499016
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 118081268) is N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is CC1(c2ccccc2)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)cc3)c2Oc2c1ccc1c2-c2ccccc2C1(C)c1ccccc1.
What is the InChIKey of N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is NKEWFZTZSBYRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45NO/c1-61(46-22-8-4-9-23-46)53-29-15-14-27-52(53)58-54(61)40-41-56-60(58)64-59-51(28-17-30-55(59)62(56,2)47-24-10-5-11-25-47)45-34-38-49(39-35-45)63(57-31-16-21-44-20-12-13-26-50(44)57)48-36-32-43(33-37-48)42-18-6-3-7-19-42/h3-41H,1-2H3.
What are the key properties of N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 820.05 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 118081268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).