18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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

C65H58N2 — CID 171404030

IUPAC18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccccc6C6CC7CCC6C7)CC3CCC5C4)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C65H58N2/c1-64(2)56-27-16-26-52(43-17-6-3-7-18-43)61(56)54-36-35-51(41-57(54)64)66(49-21-8-4-9-22-49)59-29-14-19-45-39-47-33-34-48-40-46-20-15-30-60(63(46)65(47,48)62(45)59)67(50-23-10-5-11-24-50)58-28-13-12-25-53(58)55-38-42-31-32-44(55)37-42/h3-30,35-36,41-42,44,47-48,55H,31-34,37-40H2,1-2H3
InChIKeyGXIMBMLTVLRLFI-UHFFFAOYSA-N
MW867.19 g/mol
LogP16.93
Rot. Bonds8

About 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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

18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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 (PubChem CID 171404030) has the molecular formula C65H58N2 and a molecular weight of 867.19 g/mol. Its IUPAC name is 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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.

Molecular Properties

Compound Name18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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
PubChem CID171404030
Molecular FormulaC65H58N2
Molecular Weight867.19 g/mol
Exact Mass866.46
IUPAC Name18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccccc6C6CC7CCC6C7)CC3CCC5C4)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C65H58N2/c1-64(2)56-27-16-26-52(43-17-6-3-7-18-43)61(56)54-36-35-51(41-57(54)64)66(49-21-8-4-9-22-49)59-29-14-19-45-39-47-33-34-48-40-46-20-15-30-60(63(46)65(47,48)62(45)59)67(50-23-10-5-11-24-50)58-28-13-12-25-53(58)55-38-42-31-32-44(55)37-42/h3-30,35-36,41-42,44,47-48,55H,31-34,37-40H2,1-2H3
InChIKeyGXIMBMLTVLRLFI-UHFFFAOYSA-N
XLogP16.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.19
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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 with MolForge

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Related Compounds

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
3-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-3-N,18-N-diphenyl-18-N-[1-(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 171403964
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
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738524
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
CID 170405155
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
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176187
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168739394
N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170538831
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
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568

Frequently Asked Questions

What is the IUPAC name of 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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?
The IUPAC name of 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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 171404030) is 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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.
What is the SMILES notation for 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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?
The canonical SMILES for 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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 is CC1(C)c2cc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccccc6C6CC7CCC6C7)CC3CCC5C4)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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?
The InChIKey is GXIMBMLTVLRLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H58N2/c1-64(2)56-27-16-26-52(43-17-6-3-7-18-43)61(56)54-36-35-51(41-57(54)64)66(49-21-8-4-9-22-49)59-29-14-19-45-39-47-33-34-48-40-46-20-15-30-60(63(46)65(47,48)62(45)59)67(50-23-10-5-11-24-50)58-28-13-12-25-53(58)55-38-42-31-32-44(55)37-42/h3-30,35-36,41-42,44,47-48,55H,31-34,37-40H2,1-2H3.
What are the key properties of 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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?
18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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 has a molecular weight of 867.19 g/mol, XLogP of 16.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-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 is sourced from PubChem (CID 171404030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).