N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine

C50H39N3 — CID 142427080

IUPACN,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(C)C)c3nc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)cccc21
InChIInChI=1S/C50H39N3/c1-49(2)38-21-11-8-18-35(38)45-40(49)23-14-26-43(45)53(44-27-15-24-41-46(44)36-19-9-12-22-39(36)50(41,3)4)48-37-20-10-13-25-42(37)51-47(52-48)34-30-28-33(29-31-34)32-16-6-5-7-17-32/h5-31H,1-4H3
InChIKeyRVOLTPWLIRPSDT-UHFFFAOYSA-N
MW681.88 g/mol
LogP13.05
Rot. Bonds5

About N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine

N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine (PubChem CID 142427080) has the molecular formula C50H39N3 and a molecular weight of 681.88 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine
PubChem CID142427080
Molecular FormulaC50H39N3
Molecular Weight681.88 g/mol
Exact Mass681.31
IUPAC NameN,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(C)C)c3nc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)cccc21
InChIInChI=1S/C50H39N3/c1-49(2)38-21-11-8-18-35(38)45-40(49)23-14-26-43(45)53(44-27-15-24-41-46(44)36-19-9-12-22-39(36)50(41,3)4)48-37-20-10-13-25-42(37)51-47(52-48)34-30-28-33(29-31-34)32-16-6-5-7-17-32/h5-31H,1-4H3
InChIKeyRVOLTPWLIRPSDT-UHFFFAOYSA-N
XLogP13.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-phenylquinazolin-4-amine
CID 142427124
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-phenylquinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)quinazolin-4-amine
CID 161477247
N-(2-phenylphenyl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-4-amine
CID 146369093
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499286
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
9,9-dimethyl-N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790541
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine
CID 142427212
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine (CID 142427080) is N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine is CC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(C)C)c3nc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)cccc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine?
The InChIKey is RVOLTPWLIRPSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N3/c1-49(2)38-21-11-8-18-35(38)45-40(49)23-14-26-43(45)53(44-27-15-24-41-46(44)36-19-9-12-22-39(36)50(41,3)4)48-37-20-10-13-25-42(37)51-47(52-48)34-30-28-33(29-31-34)32-16-6-5-7-17-32/h5-31H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine?
N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine has a molecular weight of 681.88 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine is sourced from PubChem (CID 142427080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).