N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine

C52H33N — CID 166033120

IUPACN-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C52H33N/c1-2-10-34(11-3-1)35-20-25-43(26-21-35)53(44-27-22-36(23-28-44)40-24-29-46-42(30-40)19-18-37-12-6-8-16-45(37)46)52-47-17-9-7-15-41(47)33-50-48-31-38-13-4-5-14-39(38)32-49(48)51(50)52/h1-33H
InChIKeyJSOPSFFDLSONSY-UHFFFAOYSA-N
MW671.84 g/mol
LogP14.75
Rot. Bonds5

About N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine

N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine (PubChem CID 166033120) has the molecular formula C52H33N and a molecular weight of 671.84 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
PubChem CID166033120
Molecular FormulaC52H33N
Molecular Weight671.84 g/mol
Exact Mass671.26
IUPAC NameN-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C52H33N/c1-2-10-34(11-3-1)35-20-25-43(26-21-35)53(44-27-22-36(23-28-44)40-24-29-46-42(30-40)19-18-37-12-6-8-16-45(37)46)52-47-17-9-7-15-41(47)33-50-48-31-38-13-4-5-14-39(38)32-49(48)51(50)52/h1-33H
InChIKeyJSOPSFFDLSONSY-UHFFFAOYSA-N
XLogP14.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine with MolForge

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Related Compounds

16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
CID 166031817
N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
CID 166033362
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
4-phenanthren-2-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 170054686
2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235226
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine (CID 166033120) is N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine?
The InChIKey is JSOPSFFDLSONSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N/c1-2-10-34(11-3-1)35-20-25-43(26-21-35)53(44-27-22-36(23-28-44)40-24-29-46-42(30-40)19-18-37-12-6-8-16-45(37)46)52-47-17-9-7-15-41(47)33-50-48-31-38-13-4-5-14-39(38)32-49(48)51(50)52/h1-33H.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine?
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine has a molecular weight of 671.84 g/mol, XLogP of 14.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine is sourced from PubChem (CID 166033120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).