5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C69H47N — CID 170304711

IUPAC5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C69H47N/c1-4-21-49(22-5-1)58-46-41-52(57-35-18-26-48-25-10-11-31-56(48)57)47-67(58)70(66-40-17-14-34-62(66)63-37-20-28-51-27-19-36-59(68(51)63)50-23-6-2-7-24-50)55-44-42-54(43-45-55)69(53-29-8-3-9-30-53)64-38-15-12-32-60(64)61-33-13-16-39-65(61)69/h1-47H
InChIKeyUDFLEAGRGNPCNF-UHFFFAOYSA-N
MW890.14 g/mol
LogP18.49
Rot. Bonds9

About 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170304711) has the molecular formula C69H47N and a molecular weight of 890.14 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170304711
Molecular FormulaC69H47N
Molecular Weight890.14 g/mol
Exact Mass889.37
IUPAC Name5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C69H47N/c1-4-21-49(22-5-1)58-46-41-52(57-35-18-26-48-25-10-11-31-56(48)57)47-67(58)70(66-40-17-14-34-62(66)63-37-20-28-51-27-19-36-59(68(51)63)50-23-6-2-7-24-50)55-44-42-54(43-45-55)69(53-29-8-3-9-30-53)64-38-15-12-32-60(64)61-33-13-16-39-65(61)69/h1-47H
InChIKeyUDFLEAGRGNPCNF-UHFFFAOYSA-N
XLogP18.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.14
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 167234200
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303422
N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291967
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016
2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
3,5-ditert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291584
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170304711) is 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is UDFLEAGRGNPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N/c1-4-21-49(22-5-1)58-46-41-52(57-35-18-26-48-25-10-11-31-56(48)57)47-67(58)70(66-40-17-14-34-62(66)63-37-20-28-51-27-19-36-59(68(51)63)50-23-6-2-7-24-50)55-44-42-54(43-45-55)69(53-29-8-3-9-30-53)64-38-15-12-32-60(64)61-33-13-16-39-65(61)69/h1-47H.
What are the key properties of 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 890.14 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170304711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).