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

C74H56N2 — CID 171404237

IUPAC18-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)CC4CCC6C5)cc3)cc2)cc1
InChIInChI=1S/C74H56N2/c1-6-20-51(21-7-1)52-36-38-53(39-37-52)54-40-44-63(45-41-54)75(61-28-12-4-13-29-61)69-34-18-22-55-48-59-42-43-60-49-56-23-19-35-70(72(56)74(59,60)71(55)69)76(62-30-14-5-15-31-62)64-46-47-66-65-32-16-17-33-67(65)73(68(66)50-64,57-24-8-2-9-25-57)58-26-10-3-11-27-58/h1-41,44-47,50,59-60H,42-43,48-49H2
InChIKeyOFAOESAOLPYSOF-UHFFFAOYSA-N
MW973.28 g/mol
LogP18.75
Rot. Bonds10

About 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

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 (PubChem CID 171404237) has the molecular formula C74H56N2 and a molecular weight of 973.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name18-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
PubChem CID171404237
Molecular FormulaC74H56N2
Molecular Weight973.28 g/mol
Exact Mass972.44
IUPAC Name18-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)CC4CCC6C5)cc3)cc2)cc1
InChIInChI=1S/C74H56N2/c1-6-20-51(21-7-1)52-36-38-53(39-37-52)54-40-44-63(45-41-54)75(61-28-12-4-13-29-61)69-34-18-22-55-48-59-42-43-60-49-56-23-19-35-70(72(56)74(59,60)71(55)69)76(62-30-14-5-15-31-62)64-46-47-66-65-32-16-17-33-67(65)73(68(66)50-64,57-24-8-2-9-25-57)58-26-10-3-11-27-58/h1-41,44-47,50,59-60H,42-43,48-49H2
InChIKeyOFAOESAOLPYSOF-UHFFFAOYSA-N
XLogP18.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.28
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
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
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)CC4CCC6C5)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is OFAOESAOLPYSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H56N2/c1-6-20-51(21-7-1)52-36-38-53(39-37-52)54-40-44-63(45-41-54)75(61-28-12-4-13-29-61)69-34-18-22-55-48-59-42-43-60-49-56-23-19-35-70(72(56)74(59,60)71(55)69)76(62-30-14-5-15-31-62)64-46-47-66-65-32-16-17-33-67(65)73(68(66)50-64,57-24-8-2-9-25-57)58-26-10-3-11-27-58/h1-41,44-47,50,59-60H,42-43,48-49H2.
What are the key properties of 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?
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 has a molecular weight of 973.28 g/mol, XLogP of 18.75, 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-(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 is sourced from PubChem (CID 171404237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).