N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine

C80H60N2 — CID 176611544

IUPACN-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4-c4ccccc4)cc3)cc1C2(C)C
InChIInChI=1S/C80H60N2/c1-55-21-20-34-77-79(55)72-50-49-69(52-78(72)80(77,2)3)82(67-43-37-59(38-44-67)70-32-18-19-33-71(70)63-36-35-56-22-16-17-27-62(56)51-63)68-47-41-61(42-48-68)76-54-73(57-23-8-4-9-24-57)75(53-74(76)58-25-10-5-11-26-58)60-39-45-66(46-40-60)81(64-28-12-6-13-29-64)65-30-14-7-15-31-65/h4-54H,1-3H3
InChIKeyGLMJMAVIBLNWGQ-UHFFFAOYSA-N
MW1049.37 g/mol
LogP22.40
Rot. Bonds12

About N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine

N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine (PubChem CID 176611544) has the molecular formula C80H60N2 and a molecular weight of 1049.37 g/mol. Its IUPAC name is N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
PubChem CID176611544
Molecular FormulaC80H60N2
Molecular Weight1049.37 g/mol
Exact Mass1048.48
IUPAC NameN-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4-c4ccccc4)cc3)cc1C2(C)C
InChIInChI=1S/C80H60N2/c1-55-21-20-34-77-79(55)72-50-49-69(52-78(72)80(77,2)3)82(67-43-37-59(38-44-67)70-32-18-19-33-71(70)63-36-35-56-22-16-17-27-62(56)51-63)68-47-41-61(42-48-68)76-54-73(57-23-8-4-9-24-57)75(53-74(76)58-25-10-5-11-26-58)60-39-45-66(46-40-60)81(64-28-12-6-13-29-64)65-30-14-7-15-31-65/h4-54H,1-3H3
InChIKeyGLMJMAVIBLNWGQ-UHFFFAOYSA-N
XLogP22.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.37
LogP ≤ 522.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
CID 171741066
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117407
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-1-naphthalen-2-yl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232049
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
9,9-dimethyl-5-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417762
5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538808

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine (CID 176611544) is N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine is Cc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4-c4ccccc4)cc3)cc1C2(C)C.
What is the InChIKey of N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine?
The InChIKey is GLMJMAVIBLNWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60N2/c1-55-21-20-34-77-79(55)72-50-49-69(52-78(72)80(77,2)3)82(67-43-37-59(38-44-67)70-32-18-19-33-71(70)63-36-35-56-22-16-17-27-62(56)51-63)68-47-41-61(42-48-68)76-54-73(57-23-8-4-9-24-57)75(53-74(76)58-25-10-5-11-26-58)60-39-45-66(46-40-60)81(64-28-12-6-13-29-64)65-30-14-7-15-31-65/h4-54H,1-3H3.
What are the key properties of N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine?
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine has a molecular weight of 1049.37 g/mol, XLogP of 22.40, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 176611544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).