N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine

C44H35N — CID 88987399

IUPACN-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine
SMILESC1=CC(c2ccc(N(C3=Cc4ccccc4CC3)c3ccc4ccccc4c3)cc2)CC=C1/C=C\c1ccc2ccccc2c1
InChIInChI=1S/C44H35N/c1-4-10-39-29-33(17-20-34(39)7-1)14-13-32-15-18-37(19-16-32)38-21-25-42(26-22-38)45(43-27-23-35-8-2-5-11-40(35)30-43)44-28-24-36-9-3-6-12-41(36)31-44/h1-18,20-23,25-27,29-31,37H,19,24,28H2/b14-13-
InChIKeyGQOAEQRCPSIIIG-YPKPFQOOSA-N
MW577.77 g/mol
LogP11.80
Rot. Bonds6

About N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine

N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine (PubChem CID 88987399) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine
PubChem CID88987399
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC NameN-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine
SMILESC1=CC(c2ccc(N(C3=Cc4ccccc4CC3)c3ccc4ccccc4c3)cc2)CC=C1/C=C\c1ccc2ccccc2c1
InChIInChI=1S/C44H35N/c1-4-10-39-29-33(17-20-34(39)7-1)14-13-32-15-18-37(19-16-32)38-21-25-42(26-22-38)45(43-27-23-35-8-2-5-11-40(35)30-43)44-28-24-36-9-3-6-12-41(36)31-44/h1-18,20-23,25-27,29-31,37H,19,24,28H2/b14-13-
InChIKeyGQOAEQRCPSIIIG-YPKPFQOOSA-N
XLogP11.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine (CID 88987399) is N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine is C1=CC(c2ccc(N(C3=Cc4ccccc4CC3)c3ccc4ccccc4c3)cc2)CC=C1/C=C\c1ccc2ccccc2c1.
What is the InChIKey of N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine?
The InChIKey is GQOAEQRCPSIIIG-YPKPFQOOSA-N. The full InChI is InChI=1S/C44H35N/c1-4-10-39-29-33(17-20-34(39)7-1)14-13-32-15-18-37(19-16-32)38-21-25-42(26-22-38)45(43-27-23-35-8-2-5-11-40(35)30-43)44-28-24-36-9-3-6-12-41(36)31-44/h1-18,20-23,25-27,29-31,37H,19,24,28H2/b14-13-.
What are the key properties of N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine?
N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine has a molecular weight of 577.77 g/mol, XLogP of 11.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-2-yl)-N-[4-[4-[(Z)-2-naphthalen-2-ylethenyl]cyclohexa-2,4-dien-1-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 88987399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).