4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine

C42H33N — CID 89375191

IUPAC4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=CC3C=CC4=CCc5cccc6ccc3c4c56)c3ccccc23)cc1
InChIInChI=1S/C42H33N/c1-28-10-22-35(23-11-28)43(36-24-12-29(2)13-25-36)40-27-21-30(37-8-3-4-9-39(37)40)14-15-31-16-17-34-19-18-32-6-5-7-33-20-26-38(31)42(34)41(32)33/h3-17,19-27,31H,18H2,1-2H3
InChIKeyKAKCHIHXZFLYSA-UHFFFAOYSA-N
MW551.73 g/mol
LogP11.39
Rot. Bonds5

About 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine

4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine (PubChem CID 89375191) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine
PubChem CID89375191
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC Name4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=CC3C=CC4=CCc5cccc6ccc3c4c56)c3ccccc23)cc1
InChIInChI=1S/C42H33N/c1-28-10-22-35(23-11-28)43(36-24-12-29(2)13-25-36)40-27-21-30(37-8-3-4-9-39(37)40)14-15-31-16-17-34-19-18-32-6-5-7-33-20-26-38(31)42(34)41(32)33/h3-17,19-27,31H,18H2,1-2H3
InChIKeyKAKCHIHXZFLYSA-UHFFFAOYSA-N
XLogP11.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-diphenylaniline
CID 89375125
N-[4-[2-[4-[4-[2-[4-[N-(4,6-dihydropyren-1-yl)-4-methylanilino]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)pyren-1-amine
CID 89375249
N-(4-methylphenyl)-N-[4-(2-naphthalen-1-ylethenyl)phenyl]pyren-1-amine
CID 58817047
10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine
CID 23443846
N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
CID 54213443
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
4-(2-naphthalen-1-ylethenyl)-N,N-diphenylnaphthalen-1-amine
CID 76823036
1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
CID 20754064
N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine
CID 19688920
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine?
The IUPAC name of 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine (CID 89375191) is 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=CC3C=CC4=CCc5cccc6ccc3c4c56)c3ccccc23)cc1.
What is the InChIKey of 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine?
The InChIKey is KAKCHIHXZFLYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N/c1-28-10-22-35(23-11-28)43(36-24-12-29(2)13-25-36)40-27-21-30(37-8-3-4-9-39(37)40)14-15-31-16-17-34-19-18-32-6-5-7-33-20-26-38(31)42(34)41(32)33/h3-17,19-27,31H,18H2,1-2H3.
What are the key properties of 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine?
4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine has a molecular weight of 551.73 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,5-dihydropyren-1-yl)ethenyl]-N,N-bis(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 89375191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).