9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine

C51H35N3O — CID 166511482

IUPAC9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cccc6oc7cc8ccccc8cc7c56)c5ccccc5n4)cc3)cc21
InChIInChI=1S/C51H35N3O/c1-51(2)43-20-10-8-17-38(43)39-28-27-37(31-44(39)51)54(35-15-4-3-5-16-35)36-25-23-32(24-26-36)50-52-45-21-11-9-18-40(45)49(53-50)41-19-12-22-46-48(41)42-29-33-13-6-7-14-34(33)30-47(42)55-46/h3-31H,1-2H3
InChIKeyUSMACRLBQAKSRT-UHFFFAOYSA-N
MW705.86 g/mol
LogP13.79
Rot. Bonds5

About 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine (PubChem CID 166511482) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine
PubChem CID166511482
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC Name9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cccc6oc7cc8ccccc8cc7c56)c5ccccc5n4)cc3)cc21
InChIInChI=1S/C51H35N3O/c1-51(2)43-20-10-8-17-38(43)39-28-27-37(31-44(39)51)54(35-15-4-3-5-16-35)36-25-23-32(24-26-36)50-52-45-21-11-9-18-40(45)49(53-50)41-19-12-22-46-48(41)42-29-33-13-6-7-14-34(33)30-47(42)55-46/h3-31H,1-2H3
InChIKeyUSMACRLBQAKSRT-UHFFFAOYSA-N
XLogP13.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-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

N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine
CID 156564501
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 140907283
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-8-amine
CID 147619926
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147691444
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176817623
N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine
CID 170211847
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 163785140
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(2-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(2-phenyldibenzofuran-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161039193
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine
CID 170093188
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine (CID 166511482) is 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cccc6oc7cc8ccccc8cc7c56)c5ccccc5n4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine?
The InChIKey is USMACRLBQAKSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c1-51(2)43-20-10-8-17-38(43)39-28-27-37(31-44(39)51)54(35-15-4-3-5-16-35)36-25-23-32(24-26-36)50-52-45-21-11-9-18-40(45)49(53-50)41-19-12-22-46-48(41)42-29-33-13-6-7-14-34(33)30-47(42)55-46/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine has a molecular weight of 705.86 g/mol, XLogP of 13.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 166511482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).