N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine

C63H45N — CID 59308865

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3ccc4c5c(cccc35)CC4)cc21
InChIInChI=1S/C63H45N/c1-63(2)56-28-15-14-25-48(56)49-34-32-46(38-57(49)63)64(58-36-31-44-30-29-43-23-16-27-52(58)59(43)44)45-33-35-51-55(37-45)47-24-12-13-26-50(47)61-54(41-19-8-4-9-20-41)39-53(40-17-6-3-7-18-40)60(62(51)61)42-21-10-5-11-22-42/h3-28,31-39H,29-30H2,1-2H3
InChIKeyGOJJKTSJLYDXHT-UHFFFAOYSA-N
MW816.06 g/mol
LogP17.18
Rot. Bonds6

About N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine

N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine (PubChem CID 59308865) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
PubChem CID59308865
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3ccc4c5c(cccc35)CC4)cc21
InChIInChI=1S/C63H45N/c1-63(2)56-28-15-14-25-48(56)49-34-32-46(38-57(49)63)64(58-36-31-44-30-29-43-23-16-27-52(58)59(43)44)45-33-35-51-55(37-45)47-24-12-13-26-50(47)61-54(41-19-8-4-9-20-41)39-53(40-17-6-3-7-18-40)60(62(51)61)42-21-10-5-11-22-42/h3-28,31-39H,29-30H2,1-2H3
InChIKeyGOJJKTSJLYDXHT-UHFFFAOYSA-N
XLogP17.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59307862
N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308597
N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308019
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 161446065
4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]-N,N-diphenylaniline
CID 59307951
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine
CID 158527440
9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine
CID 59308268
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 89083812
N-[4-[7-(9,9-dimethylfluoren-2-yl)-4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-phenyl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 159322213
6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine
CID 160617810

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine (CID 59308865) is N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3ccc4c5c(cccc35)CC4)cc21.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine?
The InChIKey is GOJJKTSJLYDXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-63(2)56-28-15-14-25-48(56)49-34-32-46(38-57(49)63)64(58-36-31-44-30-29-43-23-16-27-52(58)59(43)44)45-33-35-51-55(37-45)47-24-12-13-26-50(47)61-54(41-19-8-4-9-20-41)39-53(40-17-6-3-7-18-40)60(62(51)61)42-21-10-5-11-22-42/h3-28,31-39H,29-30H2,1-2H3.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine?
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine has a molecular weight of 816.06 g/mol, XLogP of 17.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59308865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).