1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine

C60H40N2 — CID 58323098

IUPAC1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)cc(N(c5ccccc5)c5ccc6ccccc6c5)c5ccc2c3c45)cc1
InChIInChI=1S/C60H40N2/c1-5-19-43(20-6-1)55-39-57(61(47-25-9-3-10-26-47)49-31-29-41-17-13-15-23-45(41)37-49)53-36-34-52-56(44-21-7-2-8-22-44)40-58(54-35-33-51(55)59(53)60(52)54)62(48-27-11-4-12-28-48)50-32-30-42-18-14-16-24-46(42)38-50/h1-40H
InChIKeyPVDZHRXZDYCHMS-UHFFFAOYSA-N
MW788.99 g/mol
LogP17.16
Rot. Bonds8

About 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine

1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine (PubChem CID 58323098) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
PubChem CID58323098
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)cc(N(c5ccccc5)c5ccc6ccccc6c5)c5ccc2c3c45)cc1
InChIInChI=1S/C60H40N2/c1-5-19-43(20-6-1)55-39-57(61(47-25-9-3-10-26-47)49-31-29-41-17-13-15-23-45(41)37-49)53-36-34-52-56(44-21-7-2-8-22-44)40-58(54-35-33-51(55)59(53)60(52)54)62(48-27-11-4-12-28-48)50-32-30-42-18-14-16-24-46(42)38-50/h1-40H
InChIKeyPVDZHRXZDYCHMS-UHFFFAOYSA-N
XLogP17.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,3,8-tetraphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516667
1-N,6-N-bis(4-methylphenyl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323056
1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 158240159
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571
1-N,6-N-bis(4-tert-butylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetrakis(3-phenylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine
CID 160638622
1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58322989
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
3,8-difluoro-1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 176881708
1-N,3-N-dinaphthalen-1-yl-1-N,3-N,4,6-tetraphenylbenzene-1,3-diamine;4,6-diphenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine;3-N-naphthalen-2-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine
CID 159990110
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 122416704

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine (CID 58323098) is 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine is c1ccc(-c2cc(N(c3ccccc3)c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)cc(N(c5ccccc5)c5ccc6ccccc6c5)c5ccc2c3c45)cc1.
What is the InChIKey of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine?
The InChIKey is PVDZHRXZDYCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-5-19-43(20-6-1)55-39-57(61(47-25-9-3-10-26-47)49-31-29-41-17-13-15-23-45(41)37-49)53-36-34-52-56(44-21-7-2-8-22-44)40-58(54-35-33-51(55)59(53)60(52)54)62(48-27-11-4-12-28-48)50-32-30-42-18-14-16-24-46(42)38-50/h1-40H.
What are the key properties of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine?
1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine has a molecular weight of 788.99 g/mol, XLogP of 17.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine is sourced from PubChem (CID 58323098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).