N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C53H40N2O — CID 144953992

IUPACN-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2oc3ccccc3c21
InChIInChI=1S/C53H40N2O/c1-53(2)48-18-10-11-19-49(48)55(52-51(53)47-17-9-12-20-50(47)56-52)46-35-27-42(28-36-46)41-25-33-45(34-26-41)54(43-29-21-39(22-30-43)37-13-5-3-6-14-37)44-31-23-40(24-32-44)38-15-7-4-8-16-38/h3-36H,1-2H3
InChIKeyYICDGCMQDYSKFB-UHFFFAOYSA-N
MW720.92 g/mol
LogP15.01
Rot. Bonds7

About N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 144953992) has the molecular formula C53H40N2O and a molecular weight of 720.92 g/mol. Its IUPAC name is N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID144953992
Molecular FormulaC53H40N2O
Molecular Weight720.92 g/mol
Exact Mass720.31
IUPAC NameN-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2oc3ccccc3c21
InChIInChI=1S/C53H40N2O/c1-53(2)48-18-10-11-19-49(48)55(52-51(53)47-17-9-12-20-50(47)56-52)46-35-27-42(28-36-46)41-25-33-45(34-26-41)54(43-29-21-39(22-30-43)37-13-5-3-6-14-37)44-31-23-40(24-32-44)38-15-7-4-8-16-38/h3-36H,1-2H3
InChIKeyYICDGCMQDYSKFB-UHFFFAOYSA-N
XLogP15.01
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.92
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 122425331
N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine
CID 134393002
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170656832
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-4-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 139527930
7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine
CID 118122889
14,14-dimethyl-N-(4-phenylphenyl)-N-triphenylen-2-yl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656962
N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine
CID 170656594
14,14-dimethyl-N,N-bis(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
CID 170656655
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156549318

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 144953992) is N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2oc3ccccc3c21.
What is the InChIKey of N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is YICDGCMQDYSKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2O/c1-53(2)48-18-10-11-19-49(48)55(52-51(53)47-17-9-12-20-50(47)56-52)46-35-27-42(28-36-46)41-25-33-45(34-26-41)54(43-29-21-39(22-30-43)37-13-5-3-6-14-37)44-31-23-40(24-32-44)38-15-7-4-8-16-38/h3-36H,1-2H3.
What are the key properties of N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 720.92 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(11,11-dimethyl-[1]benzofuro[2,3-b]quinolin-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 144953992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).