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

C61H44N2 — CID 118633477

IUPAC8,8-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2cc3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3c3cccc1c23
InChIInChI=1S/C61H44N2/c1-61(2)58-23-13-22-55-56-38-46(43-26-30-50(31-27-43)62(48-18-5-3-6-19-48)51-32-28-41-14-9-11-16-44(41)36-51)24-25-47(56)39-57(60(55)58)54-35-34-53(40-59(54)61)63(49-20-7-4-8-21-49)52-33-29-42-15-10-12-17-45(42)37-52/h3-40H,1-2H3
InChIKeyNUCFYUZDHOHYKX-UHFFFAOYSA-N
MW805.04 g/mol
LogP17.21
Rot. Bonds7

About 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

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 (PubChem CID 118633477) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8,8-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
PubChem CID118633477
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC Name8,8-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2cc3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3c3cccc1c23
InChIInChI=1S/C61H44N2/c1-61(2)58-23-13-22-55-56-38-46(43-26-30-50(31-27-43)62(48-18-5-3-6-19-48)51-32-28-41-14-9-11-16-44(41)36-51)24-25-47(56)39-57(60(55)58)54-35-34-53(40-59(54)61)63(49-20-7-4-8-21-49)52-33-29-42-15-10-12-17-45(42)37-52/h3-40H,1-2H3
InChIKeyNUCFYUZDHOHYKX-UHFFFAOYSA-N
XLogP17.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 517.21
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-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 with MolForge

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Related Compounds

8,8-dimethyl-5-N,16-N-diphenyl-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 118633470
8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-5-N,16-N-di(phenanthren-3-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
CID 118633447
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
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
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
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464839
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2cc3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3c3cccc1c23.
What is the InChIKey of 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?
The InChIKey is NUCFYUZDHOHYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-61(2)58-23-13-22-55-56-38-46(43-26-30-50(31-27-43)62(48-18-5-3-6-19-48)51-32-28-41-14-9-11-16-44(41)36-51)24-25-47(56)39-57(60(55)58)54-35-34-53(40-59(54)61)63(49-20-7-4-8-21-49)52-33-29-42-15-10-12-17-45(42)37-52/h3-40H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 805.04 g/mol, XLogP of 17.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118633477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).