N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine

C49H33N7 — CID 155317824

IUPACN,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-n5nc6ccccc6n5)cc4)c4ccc(-n5nc6ccccc6n5)cc4)cc32)cc1
InChIInChI=1S/C49H33N7/c1-3-13-34(14-4-1)49(35-15-5-2-6-16-35)43-18-8-7-17-41(43)42-32-31-40(33-44(42)49)54(36-23-27-38(28-24-36)55-50-45-19-9-10-20-46(45)51-55)37-25-29-39(30-26-37)56-52-47-21-11-12-22-48(47)53-56/h1-33H
InChIKeyDNVQURLDERZGEH-UHFFFAOYSA-N
MW719.85 g/mol
LogP10.99
Rot. Bonds7

About N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine

N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine (PubChem CID 155317824) has the molecular formula C49H33N7 and a molecular weight of 719.85 g/mol. Its IUPAC name is N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine
PubChem CID155317824
Molecular FormulaC49H33N7
Molecular Weight719.85 g/mol
Exact Mass719.28
IUPAC NameN,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-n5nc6ccccc6n5)cc4)c4ccc(-n5nc6ccccc6n5)cc4)cc32)cc1
InChIInChI=1S/C49H33N7/c1-3-13-34(14-4-1)49(35-15-5-2-6-16-35)43-18-8-7-17-41(43)42-32-31-40(33-44(42)49)54(36-23-27-38(28-24-36)55-50-45-19-9-10-20-46(45)51-55)37-25-29-39(30-26-37)56-52-47-21-11-12-22-48(47)53-56/h1-33H
InChIKeyDNVQURLDERZGEH-UHFFFAOYSA-N
XLogP10.99
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.85
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
4-[bis(9,9-diphenylfluoren-2-yl)amino]benzoic acid
CID 139978935

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine?
The IUPAC name of N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine (CID 155317824) is N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-n5nc6ccccc6n5)cc4)c4ccc(-n5nc6ccccc6n5)cc4)cc32)cc1.
What is the InChIKey of N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine?
The InChIKey is DNVQURLDERZGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N7/c1-3-13-34(14-4-1)49(35-15-5-2-6-16-35)43-18-8-7-17-41(43)42-32-31-40(33-44(42)49)54(36-23-27-38(28-24-36)55-50-45-19-9-10-20-46(45)51-55)37-25-29-39(30-26-37)56-52-47-21-11-12-22-48(47)53-56/h1-33H.
What are the key properties of N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine?
N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine has a molecular weight of 719.85 g/mol, XLogP of 10.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 155317824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).