8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine

C62H46N2 — CID 118633602

IUPAC8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine
SMILESCc1c2c3c(cccc3c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc13)C(C)(C)c1cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)ccc1-2
InChIInChI=1S/C62H46N2/c1-41-54-36-34-53(64(49-21-8-5-9-22-49)52-33-28-43-16-11-13-18-46(43)38-52)40-57(54)55-23-14-24-58-61(55)60(41)56-35-29-47(39-59(56)62(58,2)3)44-25-30-50(31-26-44)63(48-19-6-4-7-20-48)51-32-27-42-15-10-12-17-45(42)37-51/h4-40H,1-3H3
InChIKeyKZFMNCQQRPCUCG-UHFFFAOYSA-N
MW819.06 g/mol
LogP17.52
Rot. Bonds7

About 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine

8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine (PubChem CID 118633602) has the molecular formula C62H46N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine.

Molecular Properties

Compound Name8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine
PubChem CID118633602
Molecular FormulaC62H46N2
Molecular Weight819.06 g/mol
Exact Mass818.37
IUPAC Name8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine
SMILESCc1c2c3c(cccc3c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc13)C(C)(C)c1cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)ccc1-2
InChIInChI=1S/C62H46N2/c1-41-54-36-34-53(64(49-21-8-5-9-22-49)52-33-28-43-16-11-13-18-46(43)38-52)40-57(54)55-23-14-24-58-61(55)60(41)56-35-29-47(39-59(56)62(58,2)3)44-25-30-50(31-26-44)63(48-19-6-4-7-20-48)51-32-27-42-15-10-12-17-45(42)37-51/h4-40H,1-3H3
InChIKeyKZFMNCQQRPCUCG-UHFFFAOYSA-N
XLogP17.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine
CID 118633637
16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633625
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
8,8-dimethyl-5-N,16-N-di(phenanthren-3-yl)-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633681
8,8-dimethyl-N-naphthalen-2-yl-16-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 118633477
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232505
5-N-dibenzofuran-4-yl-8,8,20-trimethyl-5-N,16-N,16-N-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633640
5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 158119022
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411

Frequently Asked Questions

What is the IUPAC name of 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine?
The IUPAC name of 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine (CID 118633602) is 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine.
What is the SMILES notation for 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine?
The canonical SMILES for 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine is Cc1c2c3c(cccc3c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc13)C(C)(C)c1cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)ccc1-2.
What is the InChIKey of 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine?
The InChIKey is KZFMNCQQRPCUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2/c1-41-54-36-34-53(64(49-21-8-5-9-22-49)52-33-28-43-16-11-13-18-46(43)38-52)40-57(54)55-23-14-24-58-61(55)60(41)56-35-29-47(39-59(56)62(58,2)3)44-25-30-50(31-26-44)63(48-19-6-4-7-20-48)51-32-27-42-15-10-12-17-45(42)37-51/h4-40H,1-3H3.
What are the key properties of 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine?
8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine has a molecular weight of 819.06 g/mol, XLogP of 17.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,20-trimethyl-N-naphthalen-2-yl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine is sourced from PubChem (CID 118633602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).