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

C76H62N2 — CID 171404331

IUPAC20-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc(-c7cc8ccccc8cc7-c7ccc(-c8ccccc8)cc7)cc6)CC3CCCCC5C4)cc21
InChIInChI=1S/C76H62N2/c1-75(2)69-33-17-16-32-65(69)66-45-44-64(50-70(66)75)78(62-30-10-5-11-31-62)72-35-19-25-58-47-60-27-15-14-26-59-46-57-24-18-34-71(73(57)76(59,60)74(58)72)77(61-28-8-4-9-29-61)63-42-40-54(41-43-63)68-49-56-23-13-12-22-55(56)48-67(68)53-38-36-52(37-39-53)51-20-6-3-7-21-51/h3-13,16-25,28-45,48-50,59-60H,14-15,26-27,46-47H2,1-2H3
InChIKeyGRBZTRJUDQQAFA-UHFFFAOYSA-N
MW1003.35 g/mol
LogP20.29
Rot. Bonds9

About 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

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 (PubChem CID 171404331) has the molecular formula C76H62N2 and a molecular weight of 1003.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name20-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
PubChem CID171404331
Molecular FormulaC76H62N2
Molecular Weight1003.35 g/mol
Exact Mass1002.49
IUPAC Name20-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc(-c7cc8ccccc8cc7-c7ccc(-c8ccccc8)cc7)cc6)CC3CCCCC5C4)cc21
InChIInChI=1S/C76H62N2/c1-75(2)69-33-17-16-32-65(69)66-45-44-64(50-70(66)75)78(62-30-10-5-11-31-62)72-35-19-25-58-47-60-27-15-14-26-59-46-57-24-18-34-71(73(57)76(59,60)74(58)72)77(61-28-8-4-9-29-61)63-42-40-54(41-43-63)68-49-56-23-13-12-22-55(56)48-67(68)53-38-36-52(37-39-53)51-20-6-3-7-21-51/h3-13,16-25,28-45,48-50,59-60H,14-15,26-27,46-47H2,1-2H3
InChIKeyGRBZTRJUDQQAFA-UHFFFAOYSA-N
XLogP20.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.35
LogP ≤ 520.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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-(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-(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
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
CID 166031628
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
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
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
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc(-c7cc8ccccc8cc7-c7ccc(-c8ccccc8)cc7)cc6)CC3CCCCC5C4)cc21.
What is the InChIKey of 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?
The InChIKey is GRBZTRJUDQQAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62N2/c1-75(2)69-33-17-16-32-65(69)66-45-44-64(50-70(66)75)78(62-30-10-5-11-31-62)72-35-19-25-58-47-60-27-15-14-26-59-46-57-24-18-34-71(73(57)76(59,60)74(58)72)77(61-28-8-4-9-29-61)63-42-40-54(41-43-63)68-49-56-23-13-12-22-55(56)48-67(68)53-38-36-52(37-39-53)51-20-6-3-7-21-51/h3-13,16-25,28-45,48-50,59-60H,14-15,26-27,46-47H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1003.35 g/mol, XLogP of 20.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171404331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).