N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine

C42H32N2O — CID 170177399

IUPACN-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine
SMILESCCC1CC=Cc2c1oc1cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)ccc21
InChIInChI=1S/C42H32N2O/c1-2-28-13-10-20-36-35-24-23-33(27-40(35)45-42(28)36)43(30-14-4-3-5-15-30)31-16-11-17-32(26-31)44-38-21-9-8-19-37(38)41-34-18-7-6-12-29(34)22-25-39(41)44/h3-12,14-28H,2,13H2,1H3
InChIKeyWKCLBMAJPUFXHD-UHFFFAOYSA-N
MW580.73 g/mol
LogP12.06
Rot. Bonds5

About N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine

N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine (PubChem CID 170177399) has the molecular formula C42H32N2O and a molecular weight of 580.73 g/mol. Its IUPAC name is N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine
PubChem CID170177399
Molecular FormulaC42H32N2O
Molecular Weight580.73 g/mol
Exact Mass580.25
IUPAC NameN-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine
SMILESCCC1CC=Cc2c1oc1cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)ccc21
InChIInChI=1S/C42H32N2O/c1-2-28-13-10-20-36-35-24-23-33(27-40(35)45-42(28)36)43(30-14-4-3-5-15-30)31-16-11-17-32(26-31)44-38-21-9-8-19-37(38)41-34-18-7-6-12-29(34)22-25-39(41)44/h3-12,14-28H,2,13H2,1H3
InChIKeyWKCLBMAJPUFXHD-UHFFFAOYSA-N
XLogP12.06
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177101252
N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine
CID 170177421
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 170278129
3-carbazol-9-yl-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578380
N-[3-(3-benzo[c]carbazol-7-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridin-7-amine
CID 170177302
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
3-(16,30-diazaoctacyclo[14.12.1.12,27.05,29.06,15.07,12.017,22.023,28]triaconta-1,3,5(29),6(15),7,9,11,13,17,19,21,23(28),24,26-tetradecaen-30-yl)-N,N-diphenylaniline
CID 146334536
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)aniline
CID 139500549
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
N,3-diphenyl-N-[3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 139500098

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine?
The IUPAC name of N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine (CID 170177399) is N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine.
What is the SMILES notation for N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine?
The canonical SMILES for N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine is CCC1CC=Cc2c1oc1cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)ccc21.
What is the InChIKey of N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine?
The InChIKey is WKCLBMAJPUFXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O/c1-2-28-13-10-20-36-35-24-23-33(27-40(35)45-42(28)36)43(30-14-4-3-5-15-30)31-16-11-17-32(26-31)44-38-21-9-8-19-37(38)41-34-18-7-6-12-29(34)22-25-39(41)44/h3-12,14-28H,2,13H2,1H3.
What are the key properties of N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine?
N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine has a molecular weight of 580.73 g/mol, XLogP of 12.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[c]carbazol-7-ylphenyl)-6-ethyl-N-phenyl-6,7-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 170177399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).