N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine

C63H54N2 — CID 145093926

IUPACN-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine
SMILESC1=CCCC(C2=CC=C(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)C5CC=CC6=C5C=CCC6)cc4)cc3)c3cccc4c3C=CCC4)CC=C2)=C1
InChIInChI=1S/C63H54N2/c1-3-16-46(17-4-1)48-22-13-25-54(39-32-48)64(62-30-14-23-50-20-7-9-28-60(50)62)56-42-35-52(36-43-56)58-26-11-12-27-59(58)53-37-44-57(45-38-53)65(63-31-15-24-51-21-8-10-29-61(51)63)55-40-33-49(34-41-55)47-18-5-2-6-19-47/h1-3,5-6,9-16,18-19,22-24,26-30,32-45,63H,4,7-8,17,20-21,25,31H2
InChIKeyPNZXTXJZADVUSA-UHFFFAOYSA-N
MW839.14 g/mol
LogP16.94
Rot. Bonds10

About N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine

N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine (PubChem CID 145093926) has the molecular formula C63H54N2 and a molecular weight of 839.14 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine
PubChem CID145093926
Molecular FormulaC63H54N2
Molecular Weight839.14 g/mol
Exact Mass838.43
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine
SMILESC1=CCCC(C2=CC=C(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)C5CC=CC6=C5C=CCC6)cc4)cc3)c3cccc4c3C=CCC4)CC=C2)=C1
InChIInChI=1S/C63H54N2/c1-3-16-46(17-4-1)48-22-13-25-54(39-32-48)64(62-30-14-23-50-20-7-9-28-60(50)62)56-42-35-52(36-43-56)58-26-11-12-27-59(58)53-37-44-57(45-38-53)65(63-31-15-24-51-21-8-10-29-61(51)63)55-40-33-49(34-41-55)47-18-5-2-6-19-47/h1-3,5-6,9-16,18-19,22-24,26-30,32-45,63H,4,7-8,17,20-21,25,31H2
InChIKeyPNZXTXJZADVUSA-UHFFFAOYSA-N
XLogP16.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.14
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine with MolForge

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Related Compounds

N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
CID 143684786
N-[4-[4-[cyclohexa-2,4-dien-1-yl(1,2,5,6-tetrahydronaphthalen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129181008
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 155148864
N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine
CID 89065312
2-N-cyclohexa-1,3-dien-1-yl-4-N'-(2-cyclohexa-1,3-dien-1-ylphenyl)-2-N-(5,6-dihydronaphthalen-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 139470459
4-[4-(N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170235681
N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
CID 145093930
4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 143685003
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline
CID 167135724
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine (CID 145093926) is N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine is C1=CCCC(C2=CC=C(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)C5CC=CC6=C5C=CCC6)cc4)cc3)c3cccc4c3C=CCC4)CC=C2)=C1.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine?
The InChIKey is PNZXTXJZADVUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N2/c1-3-16-46(17-4-1)48-22-13-25-54(39-32-48)64(62-30-14-23-50-20-7-9-28-60(50)62)56-42-35-52(36-43-56)58-26-11-12-27-59(58)53-37-44-57(45-38-53)65(63-31-15-24-51-21-8-10-29-61(51)63)55-40-33-49(34-41-55)47-18-5-2-6-19-47/h1-3,5-6,9-16,18-19,22-24,26-30,32-45,63H,4,7-8,17,20-21,25,31H2.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine?
N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine has a molecular weight of 839.14 g/mol, XLogP of 16.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine is sourced from PubChem (CID 145093926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).