N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine

C65H45N — CID 59307862

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)c(-c5ccccc5)cc(-c5ccccc5)c43)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C65H45N/c1-65(2)59-33-19-18-30-51(59)52-36-34-47(40-60(52)65)66(61-38-45-26-12-13-27-48(45)49-28-14-16-31-53(49)61)46-35-37-55-58(39-46)50-29-15-17-32-54(50)64-62(44-24-10-5-11-25-44)56(42-20-6-3-7-21-42)41-57(63(55)64)43-22-8-4-9-23-43/h3-41H,1-2H3
InChIKeyWEWASQUOVJAEAB-UHFFFAOYSA-N
MW840.08 g/mol
LogP18.23
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine (PubChem CID 59307862) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
PubChem CID59307862
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)c(-c5ccccc5)cc(-c5ccccc5)c43)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C65H45N/c1-65(2)59-33-19-18-30-51(59)52-36-34-47(40-60(52)65)66(61-38-45-26-12-13-27-48(45)49-28-14-16-31-53(49)61)46-35-37-55-58(39-46)50-29-15-17-32-54(50)64-62(44-24-10-5-11-25-44)56(42-20-6-3-7-21-42)41-57(63(55)64)43-22-8-4-9-23-43/h3-41H,1-2H3
InChIKeyWEWASQUOVJAEAB-UHFFFAOYSA-N
XLogP18.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 518.23
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-(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
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59307858
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
4-[phenanthren-9-yl-(5,6,8-triphenyltriphenylen-2-yl)amino]benzenethiol
CID 89072735
9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine
CID 59308268
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
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
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine (CID 59307862) is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)c(-c5ccccc5)cc(-c5ccccc5)c43)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine?
The InChIKey is WEWASQUOVJAEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-65(2)59-33-19-18-30-51(59)52-36-34-47(40-60(52)65)66(61-38-45-26-12-13-27-48(45)49-28-14-16-31-53(49)61)46-35-37-55-58(39-46)50-29-15-17-32-54(50)64-62(44-24-10-5-11-25-44)56(42-20-6-3-7-21-42)41-57(63(55)64)43-22-8-4-9-23-43/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine has a molecular weight of 840.08 g/mol, XLogP of 18.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59307862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).