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

C65H56N2 — CID 171404268

IUPAC21-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)CC3CCCCCC5C4)cc21
InChIInChI=1S/C65H56N2/c1-64(2)58-29-15-14-28-56(58)57-39-38-55(43-59(57)64)67(53-26-10-5-11-27-53)61-31-17-21-49-42-51-23-7-3-6-22-50-41-48-20-16-30-60(62(48)65(50,51)63(49)61)66(52-24-8-4-9-25-52)54-36-34-45(35-37-54)47-33-32-44-18-12-13-19-46(44)40-47/h4-5,8-21,24-40,43,50-51H,3,6-7,22-23,41-42H2,1-2H3
InChIKeyKKRATNAXZFMLGX-UHFFFAOYSA-N
MW865.18 g/mol
LogP17.35
Rot. Bonds7

About 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

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 (PubChem CID 171404268) has the molecular formula C65H56N2 and a molecular weight of 865.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name21-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
PubChem CID171404268
Molecular FormulaC65H56N2
Molecular Weight865.18 g/mol
Exact Mass864.44
IUPAC Name21-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)CC3CCCCCC5C4)cc21
InChIInChI=1S/C65H56N2/c1-64(2)58-29-15-14-28-56(58)57-39-38-55(43-59(57)64)67(53-26-10-5-11-27-53)61-31-17-21-49-42-51-23-7-3-6-22-50-41-48-20-16-30-60(62(48)65(50,51)63(49)61)66(52-24-8-4-9-25-52)54-36-34-45(35-37-54)47-33-32-44-18-12-13-19-46(44)40-47/h4-5,8-21,24-40,43,50-51H,3,6-7,22-23,41-42H2,1-2H3
InChIKeyKKRATNAXZFMLGX-UHFFFAOYSA-N
XLogP17.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.18
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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-(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
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-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
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
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C35c6c(cccc6N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)CC3CCCCCC5C4)cc21.
What is the InChIKey of 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?
The InChIKey is KKRATNAXZFMLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N2/c1-64(2)58-29-15-14-28-56(58)57-39-38-55(43-59(57)64)67(53-26-10-5-11-27-53)61-31-17-21-49-42-51-23-7-3-6-22-50-41-48-20-16-30-60(62(48)65(50,51)63(49)61)66(52-24-8-4-9-25-52)54-36-34-45(35-37-54)47-33-32-44-18-12-13-19-46(44)40-47/h4-5,8-21,24-40,43,50-51H,3,6-7,22-23,41-42H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 865.18 g/mol, XLogP of 17.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171404268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).