7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine

C51H38N2 — CID 171052217

IUPAC7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine
SMILESCC1(C)c2ccccc2-c2cc3ccc4cc(N(c5ccccc5)c5ccc6cccc(N(c7ccccc7)c7ccccc7)c6c5)ccc4c3cc21
InChIInChI=1S/C51H38N2/c1-51(2)48-23-13-12-22-44(48)47-32-37-26-25-36-31-41(29-30-43(36)45(37)34-49(47)51)52(38-16-6-3-7-17-38)42-28-27-35-15-14-24-50(46(35)33-42)53(39-18-8-4-9-19-39)40-20-10-5-11-21-40/h3-34H,1-2H3
InChIKeyZEQFCGAZGPYJSC-UHFFFAOYSA-N
MW678.88 g/mol
LogP14.39
Rot. Bonds6

About 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine

7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine (PubChem CID 171052217) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine.

Molecular Properties

Compound Name7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine
PubChem CID171052217
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine
SMILESCC1(C)c2ccccc2-c2cc3ccc4cc(N(c5ccccc5)c5ccc6cccc(N(c7ccccc7)c7ccccc7)c6c5)ccc4c3cc21
InChIInChI=1S/C51H38N2/c1-51(2)48-23-13-12-22-44(48)47-32-37-26-25-36-31-41(29-30-43(36)45(37)34-49(47)51)52(38-16-6-3-7-17-38)42-28-27-35-15-14-24-50(46(35)33-42)53(39-18-8-4-9-19-39)40-20-10-5-11-21-40/h3-34H,1-2H3
InChIKeyZEQFCGAZGPYJSC-UHFFFAOYSA-N
XLogP14.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine with MolForge

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Related Compounds

3-N-(9,9-dimethylfluoren-2-yl)-1-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171052166
10,10-dimethyl-N-phenyl-N-triphenylen-2-ylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 168740172
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
3-N-(10,10-dimethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N,1-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 171052228
10,10-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 168739653
3-N-(10,10-dimethyl-18-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N-diphenyl-3-N-[3-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171052277
10,10-dimethyl-N-phenyl-N-[3-(2-phenylphenyl)phenyl]pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-amine
CID 168740059
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthren-3-amine;N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenanthren-3-amine;methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N,10-diphenylphenanthren-3-amine
CID 158051801
3-N-(10,10-dimethyl-6-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052168
3-N-(10,10-dimethyl-8-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N,1-N-diphenyl-3-N-[4-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171052164
N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
CID 156554191
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798

Frequently Asked Questions

What is the IUPAC name of 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine?
The IUPAC name of 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine (CID 171052217) is 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine.
What is the SMILES notation for 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine?
The canonical SMILES for 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine is CC1(C)c2ccccc2-c2cc3ccc4cc(N(c5ccccc5)c5ccc6cccc(N(c7ccccc7)c7ccccc7)c6c5)ccc4c3cc21.
What is the InChIKey of 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine?
The InChIKey is ZEQFCGAZGPYJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)48-23-13-12-22-44(48)47-32-37-26-25-36-31-41(29-30-43(36)45(37)34-49(47)51)52(38-16-6-3-7-17-38)42-28-27-35-15-14-24-50(46(35)33-42)53(39-18-8-4-9-19-39)40-20-10-5-11-21-40/h3-34H,1-2H3.
What are the key properties of 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine?
7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine has a molecular weight of 678.88 g/mol, XLogP of 14.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine is sourced from PubChem (CID 171052217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).