6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine

C92H62N2 — CID 58421134

IUPAC6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(C5c6ccccc6-c6ccccc65)c4)c4cc5c6ccccc6c(N(c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6cccc(C7c8ccccc8-c8ccccc87)c6)cc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C92H62N2/c1-3-21-61(22-4-1)63-41-45-65(46-42-63)67-49-53-71(54-50-67)93(73-27-19-25-69(57-73)91-83-37-15-9-29-75(83)76-30-10-16-38-84(76)91)89-59-87-80-34-8-14-36-82(80)90(60-88(87)79-33-7-13-35-81(79)89)94(72-55-51-68(52-56-72)66-47-43-64(44-48-66)62-23-5-2-6-24-62)74-28-20-26-70(58-74)92-85-39-17-11-31-77(85)78-32-12-18-40-86(78)92/h1-60,91-92H
InChIKeyBZQKLUPFKLIYGU-UHFFFAOYSA-N
MW1195.52 g/mol
LogP25.08
Rot. Bonds12

About 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine

6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine (PubChem CID 58421134) has the molecular formula C92H62N2 and a molecular weight of 1195.52 g/mol. Its IUPAC name is 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine
PubChem CID58421134
Molecular FormulaC92H62N2
Molecular Weight1195.52 g/mol
Exact Mass1194.49
IUPAC Name6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(C5c6ccccc6-c6ccccc65)c4)c4cc5c6ccccc6c(N(c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6cccc(C7c8ccccc8-c8ccccc87)c6)cc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C92H62N2/c1-3-21-61(22-4-1)63-41-45-65(46-42-63)67-49-53-71(54-50-67)93(73-27-19-25-69(57-73)91-83-37-15-9-29-75(83)76-30-10-16-38-84(76)91)89-59-87-80-34-8-14-36-82(80)90(60-88(87)79-33-7-13-35-81(79)89)94(72-55-51-68(52-56-72)66-47-43-64(44-48-66)62-23-5-2-6-24-62)74-28-20-26-70(58-74)92-85-39-17-11-31-77(85)78-32-12-18-40-86(78)92/h1-60,91-92H
InChIKeyBZQKLUPFKLIYGU-UHFFFAOYSA-N
XLogP25.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.52
LogP ≤ 525.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-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

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158981468
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline
CID 88881400
2-[3-(9H-fluoren-9-yl)phenyl]triphenylene
CID 162204348
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-dibenzofuran-2-yl-8-(9-phenyl-9H-fluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 171448031
20,20-dimethyl-4-N,17-N,17-N-triphenyl-4-N-(4-phenylphenyl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 118360264
N,N-bis(4-phenylphenyl)-12-[2-[12-(4-phenyl-N-(4-phenylphenyl)anilino)chrysen-6-yl]ethynyl]chrysen-6-amine
CID 89107181
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
2-[5-(7H-benzo[c]fluoren-7-yl)-2-phenylphenyl]-N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)aniline
CID 170927303
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine (CID 58421134) is 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(C5c6ccccc6-c6ccccc65)c4)c4cc5c6ccccc6c(N(c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c6cccc(C7c8ccccc8-c8ccccc87)c6)cc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine?
The InChIKey is BZQKLUPFKLIYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H62N2/c1-3-21-61(22-4-1)63-41-45-65(46-42-63)67-49-53-71(54-50-67)93(73-27-19-25-69(57-73)91-83-37-15-9-29-75(83)76-30-10-16-38-84(76)91)89-59-87-80-34-8-14-36-82(80)90(60-88(87)79-33-7-13-35-81(79)89)94(72-55-51-68(52-56-72)66-47-43-64(44-48-66)62-23-5-2-6-24-62)74-28-20-26-70(58-74)92-85-39-17-11-31-77(85)78-32-12-18-40-86(78)92/h1-60,91-92H.
What are the key properties of 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine?
6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine has a molecular weight of 1195.52 g/mol, XLogP of 25.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine is sourced from PubChem (CID 58421134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).