N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline

C74H51N — CID 162510714

IUPACN,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C74H51N/c1-6-23-52(24-7-1)53-25-20-36-62(47-53)75(63-37-21-26-54(48-63)56-43-45-71-67(50-56)65-39-16-18-41-69(65)73(71,58-28-8-2-9-29-58)59-30-10-3-11-31-59)64-38-22-27-55(49-64)57-44-46-72-68(51-57)66-40-17-19-42-70(66)74(72,60-32-12-4-13-33-60)61-34-14-5-15-35-61/h1-51H
InChIKeyNARYEXCRNVQWBR-UHFFFAOYSA-N
MW954.23 g/mol
LogP18.88
Rot. Bonds10

About N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline

N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline (PubChem CID 162510714) has the molecular formula C74H51N and a molecular weight of 954.23 g/mol. Its IUPAC name is N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
PubChem CID162510714
Molecular FormulaC74H51N
Molecular Weight954.23 g/mol
Exact Mass953.40
IUPAC NameN,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C74H51N/c1-6-23-52(24-7-1)53-25-20-36-62(47-53)75(63-37-21-26-54(48-63)56-43-45-71-67(50-56)65-39-16-18-41-69(65)73(71,58-28-8-2-9-29-58)59-30-10-3-11-31-59)64-38-22-27-55(49-64)57-44-46-72-68(51-57)66-40-17-19-42-70(66)74(72,60-32-12-4-13-33-60)61-34-14-5-15-35-61/h1-51H
InChIKeyNARYEXCRNVQWBR-UHFFFAOYSA-N
XLogP18.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.23
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
3,9,9-triphenylfluorene
CID 140844354
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-(9-phenylfluoren-9-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;N-[3-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159530937
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline?
The IUPAC name of N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline (CID 162510714) is N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline.
What is the SMILES notation for N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline?
The canonical SMILES for N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline is c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline?
The InChIKey is NARYEXCRNVQWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N/c1-6-23-52(24-7-1)53-25-20-36-62(47-53)75(63-37-21-26-54(48-63)56-43-45-71-67(50-56)65-39-16-18-41-69(65)73(71,58-28-8-2-9-29-58)59-30-10-3-11-31-59)64-38-22-27-55(49-64)57-44-46-72-68(51-57)66-40-17-19-42-70(66)74(72,60-32-12-4-13-33-60)61-34-14-5-15-35-61/h1-51H.
What are the key properties of N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline?
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline has a molecular weight of 954.23 g/mol, XLogP of 18.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline is sourced from PubChem (CID 162510714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).