N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine

C51H37N — CID 177294804

IUPACN-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc4c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C51H37N/c1-51(2)47-24-14-13-22-43(47)44-30-29-39(33-48(44)51)52(38-27-25-36(26-28-38)34-15-5-3-6-16-34)49-32-37(35-17-7-4-8-18-35)31-46-42-21-10-9-19-40(42)41-20-11-12-23-45(41)50(46)49/h3-33H,1-2H3
InChIKeyRFHNDTUCTJOXBH-UHFFFAOYSA-N
MW663.86 g/mol
LogP14.26
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine

N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine (PubChem CID 177294804) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine
PubChem CID177294804
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc4c5ccccc5c5ccccc5c34)cc21
InChIInChI=1S/C51H37N/c1-51(2)47-24-14-13-22-43(47)44-30-29-39(33-48(44)51)52(38-27-25-36(26-28-38)34-15-5-3-6-16-34)49-32-37(35-17-7-4-8-18-35)31-46-42-21-10-9-19-40(42)41-20-11-12-23-45(41)50(46)49/h3-33H,1-2H3
InChIKeyRFHNDTUCTJOXBH-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 514.26
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

4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
14-N,21-N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555488
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N,N-bis(9,9-dimethylfluoren-2-yl)-19-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-amine
CID 171433250
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-(9,9-dimethylfluoren-2-yl)-N,17-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433310
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine (CID 177294804) is N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc4c5ccccc5c5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine?
The InChIKey is RFHNDTUCTJOXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)47-24-14-13-22-43(47)44-30-29-39(33-48(44)51)52(38-27-25-36(26-28-38)34-15-5-3-6-16-34)49-32-37(35-17-7-4-8-18-35)31-46-42-21-10-9-19-40(42)41-20-11-12-23-45(41)50(46)49/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine?
N-(9,9-dimethylfluoren-2-yl)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine has a molecular weight of 663.86 g/mol, XLogP of 14.26, 5 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)-3-phenyl-N-(4-phenylphenyl)triphenylen-1-amine is sourced from PubChem (CID 177294804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).