7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole

C43H28N2O — CID 156548867

IUPAC7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole
SMILESC1=CNCC(c2cccc3oc4cc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)c5ccccc5c4c23)=C1
InChIInChI=1S/C43H28N2O/c1-2-11-31-27(9-1)20-23-38-41(31)35-14-5-6-16-37(35)45(38)30-21-18-28(19-22-30)36-25-40-43(34-13-4-3-12-33(34)36)42-32(15-7-17-39(42)46-40)29-10-8-24-44-26-29/h1-25,44H,26H2
InChIKeyWOBPTQZLCAUDJE-UHFFFAOYSA-N
MW588.71 g/mol
LogP11.16
Rot. Bonds3

About 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole

7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole (PubChem CID 156548867) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole
PubChem CID156548867
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole
SMILESC1=CNCC(c2cccc3oc4cc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)c5ccccc5c4c23)=C1
InChIInChI=1S/C43H28N2O/c1-2-11-31-27(9-1)20-23-38-41(31)35-14-5-6-16-37(35)45(38)30-21-18-28(19-22-30)36-25-40-43(34-13-4-3-12-33(34)36)42-32(15-7-17-39(42)46-40)29-10-8-24-44-26-29/h1-25,44H,26H2
InChIKeyWOBPTQZLCAUDJE-UHFFFAOYSA-N
XLogP11.16
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 511.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole
CID 126633153
N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine
CID 156549206
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170926661
9-dibenzofuran-1-yl-14-(4-naphthalen-1-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167029624
14-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90191516
9-dibenzofuran-4-yl-14-(4-naphthalen-1-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167029631
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253549
26-[4-(2-phenylphenyl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 154692426
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795638

Frequently Asked Questions

What is the IUPAC name of 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole?
The IUPAC name of 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole (CID 156548867) is 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole is C1=CNCC(c2cccc3oc4cc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)c5ccccc5c4c23)=C1.
What is the InChIKey of 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole?
The InChIKey is WOBPTQZLCAUDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-2-11-31-27(9-1)20-23-38-41(31)35-14-5-6-16-37(35)45(38)30-21-18-28(19-22-30)36-25-40-43(34-13-4-3-12-33(34)36)42-32(15-7-17-39(42)46-40)29-10-8-24-44-26-29/h1-25,44H,26H2.
What are the key properties of 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole?
7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole has a molecular weight of 588.71 g/mol, XLogP of 11.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[11-(1,2-dihydropyridin-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 156548867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).