3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C56H44N2 — CID 171404188

IUPAC3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)Cc6ccccc6-7)CC3CCC5C4)c2)cc1
InChIInChI=1S/C56H44N2/c1-4-15-38(16-5-1)39-18-12-25-48(36-39)57(46-21-6-2-7-22-46)52-27-13-19-41-34-44-29-30-45-35-42-20-14-28-53(55(42)56(44,45)54(41)52)58(47-23-8-3-9-24-47)49-31-32-51-43(37-49)33-40-17-10-11-26-50(40)51/h1-28,31-32,36-37,44-45H,29-30,33-35H2
InChIKeyKYKATAFSNJTRHV-UHFFFAOYSA-N
MW744.98 g/mol
LogP14.29
Rot. Bonds7

About 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (PubChem CID 171404188) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

Molecular Properties

Compound Name3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
PubChem CID171404188
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC Name3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)Cc6ccccc6-7)CC3CCC5C4)c2)cc1
InChIInChI=1S/C56H44N2/c1-4-15-38(16-5-1)39-18-12-25-48(36-39)57(46-21-6-2-7-22-46)52-27-13-19-41-34-44-29-30-45-35-42-20-14-28-53(55(42)56(44,45)54(41)52)58(47-23-8-3-9-24-47)49-31-32-51-43(37-49)33-40-17-10-11-26-50(40)51/h1-28,31-32,36-37,44-45H,29-30,33-35H2
InChIKeyKYKATAFSNJTRHV-UHFFFAOYSA-N
XLogP14.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine with MolForge

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Related Compounds

18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171403889
18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404241
18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404237
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
21-N-(9,9-dimethylfluoren-2-yl)-3-N,21-N-diphenyl-3-N-[4-(2-phenylphenyl)phenyl]pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2(7),3,5,17(22),18,20-hexaene-3,21-diamine
CID 171404226
20-N-(9,9-dimethylfluoren-2-yl)-3-N,20-N-diphenyl-3-N-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[12.7.0.01,9.02,7.016,21]henicosa-2(7),3,5,16(21),17,19-hexaene-3,20-diamine
CID 171404331
3-N-[4-(2,6-diphenylphenyl)phenyl]-3-N,18-N-diphenyl-18-N-(9-phenyl-9H-fluoren-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404191
21-N-(9,9-dimethylfluoren-2-yl)-3-N-(4-naphthalen-2-ylphenyl)-3-N,21-N-diphenylpentacyclo[13.7.0.01,9.02,7.017,22]docosa-2(7),3,5,17(22),18,20-hexaene-3,21-diamine
CID 171404268
3-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-18-N-[3-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404054
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
3-N-[4-(1-adamantyl)phenyl]-18-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-3-N,18-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404029
N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 142377963

Frequently Asked Questions

What is the IUPAC name of 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The IUPAC name of 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (CID 171404188) is 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.
What is the SMILES notation for 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The canonical SMILES for 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)Cc6ccccc6-7)CC3CCC5C4)c2)cc1.
What is the InChIKey of 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The InChIKey is KYKATAFSNJTRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-4-15-38(16-5-1)39-18-12-25-48(36-39)57(46-21-6-2-7-22-46)52-27-13-19-41-34-44-29-30-45-35-42-20-14-28-53(55(42)56(44,45)54(41)52)58(47-23-8-3-9-24-47)49-31-32-51-43(37-49)33-40-17-10-11-26-50(40)51/h1-28,31-32,36-37,44-45H,29-30,33-35H2.
What are the key properties of 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine has a molecular weight of 744.98 g/mol, XLogP of 14.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is sourced from PubChem (CID 171404188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).