N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine

C48H32N2 — CID 90360947

IUPACN,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine
SMILESC(=C/c1ccc2c3c1ccc1cccc(c13)n2-c1ccccc1)\c1c2ccccc2c(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C48H32N2/c1-4-16-35(17-5-1)49(36-18-6-2-7-19-36)48-42-24-12-10-22-39(42)41(40-23-11-13-25-43(40)48)31-27-33-29-32-45-47-38(33)30-28-34-15-14-26-44(46(34)47)50(45)37-20-8-3-9-21-37/h1-32H/b31-27+
InChIKeySVXVUIJRLWATHV-TVKQRKNISA-N
MW636.80 g/mol
LogP13.32
Rot. Bonds6

About N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine

N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine (PubChem CID 90360947) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine.

Molecular Properties

Compound NameN,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine
PubChem CID90360947
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC NameN,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine
SMILESC(=C/c1ccc2c3c1ccc1cccc(c13)n2-c1ccccc1)\c1c2ccccc2c(N(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C48H32N2/c1-4-16-35(17-5-1)49(36-18-6-2-7-19-36)48-42-24-12-10-22-39(42)41(40-23-11-13-25-43(40)48)31-27-33-29-32-45-47-38(33)30-28-34-15-14-26-44(46(34)47)50(45)37-20-8-3-9-21-37/h1-32H/b31-27+
InChIKeySVXVUIJRLWATHV-TVKQRKNISA-N
XLogP13.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-N-phenyl-10-[2-(15-quinolin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine
CID 123173523
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 90128459
N-(4-isocyanophenyl)-N,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 140732097
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
N-phenyl-N-[4-[(E)-2-[4-(15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzothiophen-3-amine
CID 90360950
1-[(E)-2-anthracen-9-ylethenyl]pyrene
CID 102439773
N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine
CID 58273881
4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
CID 90249088
N-phenyl-N-[4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]phenanthren-9-amine
CID 90363921
N-[4-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90128481
N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 90306406
N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123397867

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine?
The IUPAC name of N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine (CID 90360947) is N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine.
What is the SMILES notation for N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine?
The canonical SMILES for N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine is C(=C/c1ccc2c3c1ccc1cccc(c13)n2-c1ccccc1)\c1c2ccccc2c(N(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine?
The InChIKey is SVXVUIJRLWATHV-TVKQRKNISA-N. The full InChI is InChI=1S/C48H32N2/c1-4-16-35(17-5-1)49(36-18-6-2-7-19-36)48-42-24-12-10-22-39(42)41(40-23-11-13-25-43(40)48)31-27-33-29-32-45-47-38(33)30-28-34-15-14-26-44(46(34)47)50(45)37-20-8-3-9-21-37/h1-32H/b31-27+.
What are the key properties of N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine?
N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine has a molecular weight of 636.80 g/mol, XLogP of 13.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-10-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]anthracen-9-amine is sourced from PubChem (CID 90360947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).