N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C59H41NO — CID 167252479

IUPACN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c6ccccc6c(-c6ccccc6)cc5c4c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C59H41NO/c1-59(2)52-24-14-13-22-47(52)48-32-31-45(36-53(48)59)60(44-29-27-40(28-30-44)38-15-5-3-6-16-38)54-33-34-55-57(56(54)43-26-25-39-17-9-10-20-42(39)35-43)51-37-50(41-18-7-4-8-19-41)46-21-11-12-23-49(46)58(51)61-55/h3-37H,1-2H3
InChIKeyKBQWVXYJIHTMNF-UHFFFAOYSA-N
MW779.98 g/mol
LogP16.67
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167252479) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167252479
Molecular FormulaC59H41NO
Molecular Weight779.98 g/mol
Exact Mass779.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c6ccccc6c(-c6ccccc6)cc5c4c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C59H41NO/c1-59(2)52-24-14-13-22-47(52)48-32-31-45(36-53(48)59)60(44-29-27-40(28-30-44)38-15-5-3-6-16-38)54-33-34-55-57(56(54)43-26-25-39-17-9-10-20-42(39)35-43)51-37-50(41-18-7-4-8-19-41)46-21-11-12-23-49(46)58(51)61-55/h3-37H,1-2H3
InChIKeyKBQWVXYJIHTMNF-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.98
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-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)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171752123
9,9-dimethyl-N-[4-(16-naphthalen-2-yl-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-17-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433044
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 170535955
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161066288
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 155423705
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
CID 177281538
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674918

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 167252479) is N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c6ccccc6c(-c6ccccc6)cc5c4c3-c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is KBQWVXYJIHTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)52-24-14-13-22-47(52)48-32-31-45(36-53(48)59)60(44-29-27-40(28-30-44)38-15-5-3-6-16-38)54-33-34-55-57(56(54)43-26-25-39-17-9-10-20-42(39)35-43)51-37-50(41-18-7-4-8-19-41)46-21-11-12-23-49(46)58(51)61-55/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 779.98 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167252479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).