3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

C64H43N — CID 170141642

IUPAC3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4cc(-c5ccc6ccc7c8ccccc8ccc7c6c5)cc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C64H43N/c1-3-12-44(13-4-1)46-22-24-48(25-23-46)49-32-36-57(37-33-49)65(58-19-11-18-53(41-58)50-28-26-47(27-29-50)45-14-5-2-6-15-45)64-43-56(40-55-17-8-10-21-60(55)64)54-31-30-52-35-38-61-59-20-9-7-16-51(59)34-39-62(61)63(52)42-54/h1-43H
InChIKeyPEGKLFAVCRKHFK-UHFFFAOYSA-N
MW826.06 g/mol
LogP18.10
Rot. Bonds8

About 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 170141642) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID170141642
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC Name3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4cc(-c5ccc6ccc7c8ccccc8ccc7c6c5)cc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C64H43N/c1-3-12-44(13-4-1)46-22-24-48(25-23-46)49-32-36-57(37-33-49)65(58-19-11-18-53(41-58)50-28-26-47(27-29-50)45-14-5-2-6-15-45)64-43-56(40-55-17-8-10-21-60(55)64)54-31-30-52-35-38-61-59-20-9-7-16-51(59)34-39-62(61)63(52)42-54/h1-43H
InChIKeyPEGKLFAVCRKHFK-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 134601920
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
CID 169064330
2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine
CID 135270805
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 170150009
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977

Frequently Asked Questions

What is the IUPAC name of 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 170141642) is 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4cc(-c5ccc6ccc7c8ccccc8ccc7c6c5)cc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is PEGKLFAVCRKHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-3-12-44(13-4-1)46-22-24-48(25-23-46)49-32-36-57(37-33-49)65(58-19-11-18-53(41-58)50-28-26-47(27-29-50)45-14-5-2-6-15-45)64-43-56(40-55-17-8-10-21-60(55)64)54-31-30-52-35-38-61-59-20-9-7-16-51(59)34-39-62(61)63(52)42-54/h1-43H.
What are the key properties of 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 826.06 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170141642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).