18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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

C66H54N2 — CID 171403960

IUPAC18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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
SMILESCc1ccc(C2c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)cc32)cc1
InChIInChI=1S/C66H54N2/c1-42-28-30-43(31-29-42)62-56-24-11-10-22-52(56)53-36-34-50(40-57(53)62)68(51-35-37-55-54-23-12-13-25-58(54)65(2,3)59(55)41-51)61-27-15-17-45-39-47-33-32-46-38-44-16-14-26-60(63(44)66(46,47)64(45)61)67(48-18-6-4-7-19-48)49-20-8-5-9-21-49/h4-31,34-37,40-41,46-47,62H,32-33,38-39H2,1-3H3
InChIKeyNTQALPPBDOBXNI-UHFFFAOYSA-N
MW875.17 g/mol
LogP16.83
Rot. Bonds7

About 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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

18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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 (PubChem CID 171403960) has the molecular formula C66H54N2 and a molecular weight of 875.17 g/mol. Its IUPAC name is 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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.

Molecular Properties

Compound Name18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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
PubChem CID171403960
Molecular FormulaC66H54N2
Molecular Weight875.17 g/mol
Exact Mass874.43
IUPAC Name18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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
SMILESCc1ccc(C2c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)cc32)cc1
InChIInChI=1S/C66H54N2/c1-42-28-30-43(31-29-42)62-56-24-11-10-22-52(56)53-36-34-50(40-57(53)62)68(51-35-37-55-54-23-12-13-25-58(54)65(2,3)59(55)41-51)61-27-15-17-45-39-47-33-32-46-38-44-16-14-26-60(63(44)66(46,47)64(45)61)67(48-18-6-4-7-19-48)49-20-8-5-9-21-49/h4-31,34-37,40-41,46-47,62H,32-33,38-39H2,1-3H3
InChIKeyNTQALPPBDOBXNI-UHFFFAOYSA-N
XLogP16.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.17
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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 with MolForge

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Related Compounds

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,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
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
9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine
CID 144639598
N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
CID 171404286
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-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-fluorophenyl)carbazol-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 171404296
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
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
N-[2-(9H-fluoren-9-yl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 168798213
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

Frequently Asked Questions

What is the IUPAC name of 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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?
The IUPAC name of 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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 171403960) is 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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.
What is the SMILES notation for 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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?
The canonical SMILES for 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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 is Cc1ccc(C2c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)cc32)cc1.
What is the InChIKey of 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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?
The InChIKey is NTQALPPBDOBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2/c1-42-28-30-43(31-29-42)62-56-24-11-10-22-52(56)53-36-34-50(40-57(53)62)68(51-35-37-55-54-23-12-13-25-58(54)65(2,3)59(55)41-51)61-27-15-17-45-39-47-33-32-46-38-44-16-14-26-60(63(44)66(46,47)64(45)61)67(48-18-6-4-7-19-48)49-20-8-5-9-21-49/h4-31,34-37,40-41,46-47,62H,32-33,38-39H2,1-3H3.
What are the key properties of 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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?
18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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 has a molecular weight of 875.17 g/mol, XLogP of 16.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-N-(9,9-dimethylfluoren-2-yl)-18-N-[9-(4-methylphenyl)-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 is sourced from PubChem (CID 171403960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).