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

C52H31N — CID 166033362

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C52H31N/c1-2-12-32(13-3-1)33-22-24-40(25-23-33)53(51-41-20-10-8-18-38(41)30-47-43-26-34-14-4-6-16-36(34)28-45(43)49(47)51)52-42-21-11-9-19-39(42)31-48-44-27-35-15-5-7-17-37(35)29-46(44)50(48)52/h1-31H
InChIKeyGXWPACPRZMIZGL-UHFFFAOYSA-N
MW669.83 g/mol
LogP14.73
Rot. Bonds4

About 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

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 (PubChem CID 166033362) has the molecular formula C52H31N and a molecular weight of 669.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID166033362
Molecular FormulaC52H31N
Molecular Weight669.83 g/mol
Exact Mass669.25
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C52H31N/c1-2-12-32(13-3-1)33-22-24-40(25-23-33)53(51-41-20-10-8-18-38(41)30-47-43-26-34-14-4-6-16-36(34)28-45(43)49(47)51)52-42-21-11-9-19-39(42)31-48-44-27-35-15-5-7-17-37(35)29-46(44)50(48)52/h1-31H
InChIKeyGXWPACPRZMIZGL-UHFFFAOYSA-N
XLogP14.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 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-(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
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)-9,9'-spirobi[fluorene]-1-amine
CID 166032352
N-(9,9-diphenylfluoren-4-yl)-16-phenyl-N-(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 166032156
N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-5-amine
CID 166031744
12,12-diphenyl-N,N-bis(4-phenylphenyl)-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-amine
CID 142346966
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
3-phenanthren-9-yl-N,N,4-tris(4-phenylphenyl)aniline
CID 170054845
N,N-diphenyl-4-[4-[11-[4-[4-(N-phenylanilino)phenyl]phenyl]chrysen-5-yl]phenyl]aniline
CID 59987791
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-(2-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 139352789
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299
16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine
CID 166032937

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)c3c4c(cc5ccccc35)-c3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is GXWPACPRZMIZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N/c1-2-12-32(13-3-1)33-22-24-40(25-23-33)53(51-41-20-10-8-18-38(41)30-47-43-26-34-14-4-6-16-36(34)28-45(43)49(47)51)52-42-21-11-9-19-39(42)31-48-44-27-35-15-5-7-17-37(35)29-46(44)50(48)52/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 669.83 g/mol, XLogP of 14.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166033362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).