N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine

C65H45N — CID 177294690

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3c(-c4cccc(-c5ccccc5-c5ccccc5)c4)ccc4c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C65H45N/c1-65(2)61-30-15-14-28-57(61)58-36-34-48(41-62(58)65)66(47-33-35-52-46(40-47)32-31-43-19-6-7-22-50(43)52)64-53(37-38-60-56-27-11-10-25-54(56)55-26-12-13-29-59(55)63(60)64)45-21-16-20-44(39-45)51-24-9-8-23-49(51)42-17-4-3-5-18-42/h3-41H,1-2H3
InChIKeyNWLKRHNTSUPNIX-UHFFFAOYSA-N
MW840.08 g/mol
LogP18.23
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine (PubChem CID 177294690) 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-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine
PubChem CID177294690
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3c(-c4cccc(-c5ccccc5-c5ccccc5)c4)ccc4c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C65H45N/c1-65(2)61-30-15-14-28-57(61)58-36-34-48(41-62(58)65)66(47-33-35-52-46(40-47)32-31-43-19-6-7-22-50(43)52)64-53(37-38-60-56-27-11-10-25-54(56)55-26-12-13-29-59(55)63(60)64)45-21-16-20-44(39-45)51-24-9-8-23-49(51)42-17-4-3-5-18-42/h3-41H,1-2H3
InChIKeyNWLKRHNTSUPNIX-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-(3,4-diphenylphenyl)-2-naphthalen-1-yltriphenylen-1-amine
CID 177294651
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]triphenylen-1-amine
CID 177294696
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
CID 177294664
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140151
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476605
N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170140156
N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155221112
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine (CID 177294690) is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3c(-c4cccc(-c5ccccc5-c5ccccc5)c4)ccc4c5ccccc5c5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine?
The InChIKey is NWLKRHNTSUPNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-65(2)61-30-15-14-28-57(61)58-36-34-48(41-62(58)65)66(47-33-35-52-46(40-47)32-31-43-19-6-7-22-50(43)52)64-53(37-38-60-56-27-11-10-25-54(56)55-26-12-13-29-59(55)63(60)64)45-21-16-20-44(39-45)51-24-9-8-23-49(51)42-17-4-3-5-18-42/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-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-2-yl-2-[3-(2-phenylphenyl)phenyl]triphenylen-1-amine is sourced from PubChem (CID 177294690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).