18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C78H58N2 — CID 171404347

IUPAC18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)CC4CCC6C5)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C78H58N2/c1-6-23-55(24-7-1)74-66-35-17-16-22-53(66)42-48-67(74)54-40-45-64(46-41-54)79(62-31-12-4-13-32-62)72-38-20-25-56-50-60-43-44-61-51-57-26-21-39-73(76(57)78(60,61)75(56)72)80(63-33-14-5-15-34-63)65-47-49-69-68-36-18-19-37-70(68)77(71(69)52-65,58-27-8-2-9-28-58)59-29-10-3-11-30-59/h1-42,45-49,52,60-61H,43-44,50-51H2
InChIKeyIIPIBXZKDRLYJT-UHFFFAOYSA-N
MW1023.34 g/mol
LogP19.90
Rot. Bonds10

About 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[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-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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 171404347) has the molecular formula C78H58N2 and a molecular weight of 1023.34 g/mol. Its IUPAC name is 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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 Name18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
PubChem CID171404347
Molecular FormulaC78H58N2
Molecular Weight1023.34 g/mol
Exact Mass1022.46
IUPAC Name18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)CC4CCC6C5)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C78H58N2/c1-6-23-55(24-7-1)74-66-35-17-16-22-53(66)42-48-67(74)54-40-45-64(46-41-54)79(62-31-12-4-13-32-62)72-38-20-25-56-50-60-43-44-61-51-57-26-21-39-73(76(57)78(60,61)75(56)72)80(63-33-14-5-15-34-63)65-47-49-69-68-36-18-19-37-70(68)77(71(69)52-65,58-27-8-2-9-28-58)59-29-10-3-11-30-59/h1-42,45-49,52,60-61H,43-44,50-51H2
InChIKeyIIPIBXZKDRLYJT-UHFFFAOYSA-N
XLogP19.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.34
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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-(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-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
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
18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]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 171404359
3-N-(9,9-diphenylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 177286626
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156558424
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168790205

Frequently Asked Questions

What is the IUPAC name of 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)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 171404347) is 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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(-c2c(-c3ccc(N(c4ccccc4)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)CC4CCC6C5)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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 IIPIBXZKDRLYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H58N2/c1-6-23-55(24-7-1)74-66-35-17-16-22-53(66)42-48-67(74)54-40-45-64(46-41-54)79(62-31-12-4-13-32-62)72-38-20-25-56-50-60-43-44-61-51-57-26-21-39-73(76(57)78(60,61)75(56)72)80(63-33-14-5-15-34-63)65-47-49-69-68-36-18-19-37-70(68)77(71(69)52-65,58-27-8-2-9-28-58)59-29-10-3-11-30-59/h1-42,45-49,52,60-61H,43-44,50-51H2.
What are the key properties of 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[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-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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 1023.34 g/mol, XLogP of 19.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]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 171404347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).