9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine

C75H52N2 — CID 129026222

IUPAC9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2cccc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccccc34)c2)cc1
InChIInChI=1S/C75H52N2/c1-5-27-53(28-6-1)61-39-13-15-41-63(61)64-42-16-14-40-62(64)54-29-25-37-59(51-54)76(57-33-9-3-10-34-57)73-67-45-17-19-47-69(67)74(70-48-20-18-46-68(70)73)77(58-35-11-4-12-36-58)60-38-26-32-56(52-60)75(55-30-7-2-8-31-55)71-49-23-21-43-65(71)66-44-22-24-50-72(66)75/h1-52H
InChIKeyFVEUFEUAZTZNRN-UHFFFAOYSA-N
MW981.26 g/mol
LogP20.30
Rot. Bonds11

About 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine

9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine (PubChem CID 129026222) has the molecular formula C75H52N2 and a molecular weight of 981.26 g/mol. Its IUPAC name is 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine
PubChem CID129026222
Molecular FormulaC75H52N2
Molecular Weight981.26 g/mol
Exact Mass980.41
IUPAC Name9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2cccc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccccc34)c2)cc1
InChIInChI=1S/C75H52N2/c1-5-27-53(28-6-1)61-39-13-15-41-63(61)64-42-16-14-40-62(64)54-29-25-37-59(51-54)76(57-33-9-3-10-34-57)73-67-45-17-19-47-69(67)74(70-48-20-18-46-68(70)73)77(58-35-11-4-12-36-58)60-38-26-32-56(52-60)75(55-30-7-2-8-31-55)71-49-23-21-43-65(71)66-44-22-24-50-72(66)75/h1-52H
InChIKeyFVEUFEUAZTZNRN-UHFFFAOYSA-N
XLogP20.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.26
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine 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

N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305163
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,N-bis(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]naphthalen-1-amine
CID 157395516
10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304496
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168790205
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304543
N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
CID 169292985
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine (CID 129026222) is 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine is c1ccc(-c2ccccc2-c2ccccc2-c2cccc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine?
The InChIKey is FVEUFEUAZTZNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N2/c1-5-27-53(28-6-1)61-39-13-15-41-63(61)64-42-16-14-40-62(64)54-29-25-37-59(51-54)76(57-33-9-3-10-34-57)73-67-45-17-19-47-69(67)74(70-48-20-18-46-68(70)73)77(58-35-11-4-12-36-58)60-38-26-32-56(52-60)75(55-30-7-2-8-31-55)71-49-23-21-43-65(71)66-44-22-24-50-72(66)75/h1-52H.
What are the key properties of 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine?
9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine has a molecular weight of 981.26 g/mol, XLogP of 20.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-diphenyl-10-N-[3-(9-phenylfluoren-9-yl)phenyl]-9-N-[3-[2-(2-phenylphenyl)phenyl]phenyl]anthracene-9,10-diamine is sourced from PubChem (CID 129026222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).