N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine

C49H35NO — CID 135299619

IUPACN-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)ccc2-c2c1cc(-c1ccccc1)c1ccccc21
InChIInChI=1S/C49H35NO/c1-49(2)44-29-34(23-27-42(44)48-41-19-10-9-17-38(41)43(31-45(48)49)33-13-5-3-6-14-33)32-21-24-36(25-22-32)50(35-15-7-4-8-16-35)37-26-28-40-39-18-11-12-20-46(39)51-47(40)30-37/h3-31H,1-2H3
InChIKeyWNGOGRQWYARGMI-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine

N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 135299619) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID135299619
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)ccc2-c2c1cc(-c1ccccc1)c1ccccc21
InChIInChI=1S/C49H35NO/c1-49(2)44-29-34(23-27-42(44)48-41-19-10-9-17-38(41)43(31-45(48)49)33-13-5-3-6-14-33)32-21-24-36(25-22-32)50(35-15-7-4-8-16-35)37-26-28-40-39-18-11-12-20-46(39)51-47(40)30-37/h3-31H,1-2H3
InChIKeyWNGOGRQWYARGMI-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 135299697
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 139504762
N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158397284
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
2-N,6-N-di(dibenzofuran-3-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89254555
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[4-[3-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964437

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine (CID 135299619) is N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine is CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)ccc2-c2c1cc(-c1ccccc1)c1ccccc21.
What is the InChIKey of N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is WNGOGRQWYARGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)44-29-34(23-27-42(44)48-41-19-10-9-17-38(41)43(31-45(48)49)33-13-5-3-6-14-33)32-21-24-36(25-22-32)50(35-15-7-4-8-16-35)37-26-28-40-39-18-11-12-20-46(39)51-47(40)30-37/h3-31H,1-2H3.
What are the key properties of N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine?
N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 135299619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).