N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine

C71H51N — CID 143535561

IUPACN-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine
SMILESC/C=c1/ccc(-c2c3ccccc3c(-c3cccc(N(c4ccccc4)c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)c3ccccc23)c/c1=C/CC
InChIInChI=1S/C71H51N/c1-3-19-50-42-54(37-34-47(50)4-2)69-62-30-14-12-28-60(62)68(61-29-13-15-31-63(61)69)53-24-18-27-58(45-53)72(57-25-6-5-7-26-57)59-40-41-66-67(46-59)71(56-39-36-49-21-9-11-23-52(49)44-56)65-33-17-16-32-64(65)70(66)55-38-35-48-20-8-10-22-51(48)43-55/h4-46H,3H2,1-2H3/b47-4-,50-19-
InChIKeyWTUWTNJUAZDBKU-TVZRTTCCSA-N
MW918.20 g/mol
LogP18.73
Rot. Bonds8

About N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine

N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine (PubChem CID 143535561) has the molecular formula C71H51N and a molecular weight of 918.20 g/mol. Its IUPAC name is N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine.

Molecular Properties

Compound NameN-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine
PubChem CID143535561
Molecular FormulaC71H51N
Molecular Weight918.20 g/mol
Exact Mass917.40
IUPAC NameN-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine
SMILESC/C=c1/ccc(-c2c3ccccc3c(-c3cccc(N(c4ccccc4)c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)c3ccccc23)c/c1=C/CC
InChIInChI=1S/C71H51N/c1-3-19-50-42-54(37-34-47(50)4-2)69-62-30-14-12-28-60(62)68(61-29-13-15-31-63(61)69)53-24-18-27-58(45-53)72(57-25-6-5-7-26-57)59-40-41-66-67(46-59)71(56-39-36-49-21-9-11-23-52(49)44-56)65-33-17-16-32-64(65)70(66)55-38-35-48-20-8-10-22-51(48)43-55/h4-46H,3H2,1-2H3/b47-4-,50-19-
InChIKeyWTUWTNJUAZDBKU-TVZRTTCCSA-N
XLogP18.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.20
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine with MolForge

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Related Compounds

2-[4-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-ylanthracene
CID 143535613
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788

Frequently Asked Questions

What is the IUPAC name of N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine?
The IUPAC name of N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine (CID 143535561) is N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine.
What is the SMILES notation for N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine?
The canonical SMILES for N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine is C/C=c1/ccc(-c2c3ccccc3c(-c3cccc(N(c4ccccc4)c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)c3ccccc23)c/c1=C/CC.
What is the InChIKey of N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine?
The InChIKey is WTUWTNJUAZDBKU-TVZRTTCCSA-N. The full InChI is InChI=1S/C71H51N/c1-3-19-50-42-54(37-34-47(50)4-2)69-62-30-14-12-28-60(62)68(61-29-13-15-31-63(61)69)53-24-18-27-58(45-53)72(57-25-6-5-7-26-57)59-40-41-66-67(46-59)71(56-39-36-49-21-9-11-23-52(49)44-56)65-33-17-16-32-64(65)70(66)55-38-35-48-20-8-10-22-51(48)43-55/h4-46H,3H2,1-2H3/b47-4-,50-19-.
What are the key properties of N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine?
N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine has a molecular weight of 918.20 g/mol, XLogP of 18.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[10-[(3Z,4Z)-4-ethylidene-3-propylidenecyclohexa-1,5-dien-1-yl]anthracen-9-yl]phenyl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine is sourced from PubChem (CID 143535561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).