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

C74H56N2 — CID 171404191

IUPAC3-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
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)c6ccccc6-7)CC3CCC5C4)cc2)cc1
InChIInChI=1S/C74H56N2/c1-6-21-50(22-7-1)62-35-20-36-63(51-23-8-2-9-24-51)70(62)53-39-43-60(44-40-53)75(58-29-12-4-13-30-58)68-37-18-27-54-47-56-41-42-57-48-55-28-19-38-69(73(55)74(56,57)72(54)68)76(59-31-14-5-15-32-59)61-45-46-65-64-33-16-17-34-66(64)71(67(65)49-61)52-25-10-3-11-26-52/h1-40,43-46,49,56-57,71H,41-42,47-48H2
InChIKeyDTUPLUIIWVFAIN-UHFFFAOYSA-N
MW973.28 g/mol
LogP19.21
Rot. Bonds10

About 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

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 (PubChem CID 171404191) has the molecular formula C74H56N2 and a molecular weight of 973.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID171404191
Molecular FormulaC74H56N2
Molecular Weight973.28 g/mol
Exact Mass972.44
IUPAC Name3-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
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)c6ccccc6-7)CC3CCC5C4)cc2)cc1
InChIInChI=1S/C74H56N2/c1-6-21-50(22-7-1)62-35-20-36-63(51-23-8-2-9-24-51)70(62)53-39-43-60(44-40-53)75(58-29-12-4-13-30-58)68-37-18-27-54-47-56-41-42-57-48-55-28-19-38-69(73(55)74(56,57)72(54)68)76(59-31-14-5-15-32-59)61-45-46-65-64-33-16-17-34-66(64)71(67(65)49-61)52-25-10-3-11-26-52/h1-40,43-46,49,56-57,71H,41-42,47-48H2
InChIKeyDTUPLUIIWVFAIN-UHFFFAOYSA-N
XLogP19.21
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 ≤ 519.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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-(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
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
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
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-(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)c6ccccc6-7)CC3CCC5C4)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DTUPLUIIWVFAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H56N2/c1-6-21-50(22-7-1)62-35-20-36-63(51-23-8-2-9-24-51)70(62)53-39-43-60(44-40-53)75(58-29-12-4-13-30-58)68-37-18-27-54-47-56-41-42-57-48-55-28-19-38-69(73(55)74(56,57)72(54)68)76(59-31-14-5-15-32-59)61-45-46-65-64-33-16-17-34-66(64)71(67(65)49-61)52-25-10-3-11-26-52/h1-40,43-46,49,56-57,71H,41-42,47-48H2.
What are the key properties of 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?
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 has a molecular weight of 973.28 g/mol, XLogP of 19.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171404191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).