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

C48H32N2 — CID 90363921

IUPACN-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
SMILESC(=C/c1cc2ccc3cccc4c3c2c(c1)n4-c1ccccc1)\c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C48H32N2/c1-3-14-38(15-4-1)49(45-32-36-12-7-8-18-41(36)42-19-9-10-20-43(42)45)40-28-24-33(25-29-40)22-23-34-30-37-27-26-35-13-11-21-44-47(35)48(37)46(31-34)50(44)39-16-5-2-6-17-39/h1-32H/b23-22+
InChIKeyXPWMVQIQVBSMSE-GHVJWSGMSA-N
MW636.80 g/mol
LogP13.32
Rot. Bonds6

About 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

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 (PubChem CID 90363921) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID90363921
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC NameN-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
SMILESC(=C/c1cc2ccc3cccc4c3c2c(c1)n4-c1ccccc1)\c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C48H32N2/c1-3-14-38(15-4-1)49(45-32-36-12-7-8-18-41(36)42-19-9-10-20-43(42)45)40-28-24-33(25-29-40)22-23-34-30-37-27-26-35-13-11-21-44-47(35)48(37)46(31-34)50(44)39-16-5-2-6-17-39/h1-32H/b23-22+
InChIKeyXPWMVQIQVBSMSE-GHVJWSGMSA-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_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-(N-[4-[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]anilino)benzonitrile
CID 123965979
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-(4-phenylphenyl)phenanthren-9-amine
CID 90128470
N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
CID 74013981
4-[naphthalen-2-yl-[7-[(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]phenanthren-2-yl]amino]benzonitrile
CID 90363913
N-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine
CID 76589956
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,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90249615
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 168810061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(=C/c1cc2ccc3cccc4c3c2c(c1)n4-c1ccccc1)\c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is XPWMVQIQVBSMSE-GHVJWSGMSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-14-38(15-4-1)49(45-32-36-12-7-8-18-41(36)42-19-9-10-20-43(42)45)40-28-24-33(25-29-40)22-23-34-30-37-27-26-35-13-11-21-44-47(35)48(37)46(31-34)50(44)39-16-5-2-6-17-39/h1-32H/b23-22+.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 90363921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).