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

C78H58N2 — CID 171404054

IUPAC3-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
SMILESc1ccc(-c2ccc(-c3cc4ccccc4cc3N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)CC3CCC5C4)cc2)cc1
InChIInChI=1S/C78H58N2/c1-6-22-53(23-7-1)54-40-42-55(43-41-54)69-50-56-24-16-17-25-57(56)51-74(69)80(65-34-14-5-15-35-65)73-39-21-27-59-49-63-45-44-62-48-58-26-20-38-72(75(58)78(62,63)76(59)73)79(64-32-12-4-13-33-64)66-46-47-68-67-36-18-19-37-70(67)77(71(68)52-66,60-28-8-2-9-29-60)61-30-10-3-11-31-61/h1-43,46-47,50-52,62-63H,44-45,48-49H2
InChIKeyNZUOEKZYHHJLMS-UHFFFAOYSA-N
MW1023.34 g/mol
LogP19.90
Rot. Bonds10

About 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

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 (PubChem CID 171404054) has the molecular formula C78H58N2 and a molecular weight of 1023.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID171404054
Molecular FormulaC78H58N2
Molecular Weight1023.34 g/mol
Exact Mass1022.46
IUPAC Name3-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
SMILESc1ccc(-c2ccc(-c3cc4ccccc4cc3N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)CC3CCC5C4)cc2)cc1
InChIInChI=1S/C78H58N2/c1-6-22-53(23-7-1)54-40-42-55(43-41-54)69-50-56-24-16-17-25-57(56)51-74(69)80(65-34-14-5-15-35-65)73-39-21-27-59-49-63-45-44-62-48-58-26-20-38-72(75(58)78(62,63)76(59)73)79(64-32-12-4-13-33-64)66-46-47-68-67-36-18-19-37-70(67)77(71(68)52-66,60-28-8-2-9-29-60)61-30-10-3-11-31-61/h1-43,46-47,50-52,62-63H,44-45,48-49H2
InChIKeyNZUOEKZYHHJLMS-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 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 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
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
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-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 155133254
3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-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 171404250
N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098438
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
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
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
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 177098579

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc4ccccc4cc3N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)CC3CCC5C4)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is NZUOEKZYHHJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H58N2/c1-6-22-53(23-7-1)54-40-42-55(43-41-54)69-50-56-24-16-17-25-57(56)51-74(69)80(65-34-14-5-15-35-65)73-39-21-27-59-49-63-45-44-62-48-58-26-20-38-72(75(58)78(62,63)76(59)73)79(64-32-12-4-13-33-64)66-46-47-68-67-36-18-19-37-70(67)77(71(68)52-66,60-28-8-2-9-29-60)61-30-10-3-11-31-61/h1-43,46-47,50-52,62-63H,44-45,48-49H2.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 171404054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).