N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine

C66H48N2 — CID 70991866

IUPACN-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6c(c4)CCc4cc(N(c7ccc(-c8ccccc8)cc7)c7ccc8ccccc8c7)cc(c4-6)CC5)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C66H48N2/c1-3-11-45(12-4-1)49-23-31-59(32-24-49)67(62-37-29-47-15-7-9-17-52(47)41-62)60-35-27-51(28-36-60)58-39-54-19-21-56-43-64(44-57-22-20-55(40-58)65(54)66(56)57)68(63-38-30-48-16-8-10-18-53(48)42-63)61-33-25-50(26-34-61)46-13-5-2-6-14-46/h1-18,23-44H,19-22H2
InChIKeyRQTYIZSKAJALGZ-UHFFFAOYSA-N
MW869.12 g/mol
LogP17.80
Rot. Bonds9

About N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine

N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine (PubChem CID 70991866) has the molecular formula C66H48N2 and a molecular weight of 869.12 g/mol. Its IUPAC name is N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine
PubChem CID70991866
Molecular FormulaC66H48N2
Molecular Weight869.12 g/mol
Exact Mass868.38
IUPAC NameN-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6c(c4)CCc4cc(N(c7ccc(-c8ccccc8)cc7)c7ccc8ccccc8c7)cc(c4-6)CC5)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C66H48N2/c1-3-11-45(12-4-1)49-23-31-59(32-24-49)67(62-37-29-47-15-7-9-17-52(47)41-62)60-35-27-51(28-36-60)58-39-54-19-21-56-43-64(44-57-22-20-55(40-58)65(54)66(56)57)68(63-38-30-48-16-8-10-18-53(48)42-63)61-33-25-50(26-34-61)46-13-5-2-6-14-46/h1-18,23-44H,19-22H2
InChIKeyRQTYIZSKAJALGZ-UHFFFAOYSA-N
XLogP17.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.12
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine
CID 70991836
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine?
The IUPAC name of N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine (CID 70991866) is N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine?
The canonical SMILES for N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5c6c(c4)CCc4cc(N(c7ccc(-c8ccccc8)cc7)c7ccc8ccccc8c7)cc(c4-6)CC5)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine?
The InChIKey is RQTYIZSKAJALGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2/c1-3-11-45(12-4-1)49-23-31-59(32-24-49)67(62-37-29-47-15-7-9-17-52(47)41-62)60-35-27-51(28-36-60)58-39-54-19-21-56-43-64(44-57-22-20-55(40-58)65(54)66(56)57)68(63-38-30-48-16-8-10-18-53(48)42-63)61-33-25-50(26-34-61)46-13-5-2-6-14-46/h1-18,23-44H,19-22H2.
What are the key properties of N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine?
N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine has a molecular weight of 869.12 g/mol, XLogP of 17.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine is sourced from PubChem (CID 70991866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).