3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine

C71H50N2 — CID 177286626

IUPAC3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2N(c2cc(-c3ccc4ccccc4c3-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C71H50N2/c1-7-25-51(26-8-1)62-38-22-24-42-69(62)73(59-44-46-66-65-40-21-23-41-67(65)71(68(66)50-59,55-30-11-3-12-31-55)56-32-13-4-14-33-56)61-48-54(47-60(49-61)72(57-34-15-5-16-35-57)58-36-17-6-18-37-58)64-45-43-52-27-19-20-39-63(52)70(64)53-28-9-2-10-29-53/h1-50H
InChIKeyGTXHRGWRDSSRTB-UHFFFAOYSA-N
MW931.20 g/mol
LogP19.14
Rot. Bonds11

About 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine

3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 177286626) has the molecular formula C71H50N2 and a molecular weight of 931.20 g/mol. Its IUPAC name is 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
PubChem CID177286626
Molecular FormulaC71H50N2
Molecular Weight931.20 g/mol
Exact Mass930.40
IUPAC Name3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2N(c2cc(-c3ccc4ccccc4c3-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C71H50N2/c1-7-25-51(26-8-1)62-38-22-24-42-69(62)73(59-44-46-66-65-40-21-23-41-67(65)71(68(66)50-59,55-30-11-3-12-31-55)56-32-13-4-14-33-56)61-48-54(47-60(49-61)72(57-34-15-5-16-35-57)58-36-17-6-18-37-58)64-45-43-52-27-19-20-39-63(52)70(64)53-28-9-2-10-29-53/h1-50H
InChIKeyGTXHRGWRDSSRTB-UHFFFAOYSA-N
XLogP19.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.20
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156558424
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168790205
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 157147321
18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404347
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
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
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048535
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 169020349

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine (CID 177286626) is 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccccc2N(c2cc(-c3ccc4ccccc4c3-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The InChIKey is GTXHRGWRDSSRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N2/c1-7-25-51(26-8-1)62-38-22-24-42-69(62)73(59-44-46-66-65-40-21-23-41-67(65)71(68(66)50-59,55-30-11-3-12-31-55)56-32-13-4-14-33-56)61-48-54(47-60(49-61)72(57-34-15-5-16-35-57)58-36-17-6-18-37-58)64-45-43-52-27-19-20-39-63(52)70(64)53-28-9-2-10-29-53/h1-50H.
What are the key properties of 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine?
3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 931.20 g/mol, XLogP of 19.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 177286626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).