N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine

C49H31N3O — CID 170177231

IUPACN-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2nccc3c2oc2ccccc23)c(-c2ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc2)c1
InChIInChI=1S/C49H31N3O/c1-2-13-35-31-37(27-21-32(35)11-1)52(49-48-43(29-30-50-49)41-17-7-10-20-46(41)53-48)44-18-8-5-14-38(44)34-22-25-36(26-23-34)51-45-19-9-6-16-40(45)42-28-24-33-12-3-4-15-39(33)47(42)51/h1-31H
InChIKeyDVCDQPCOCOZTHR-UHFFFAOYSA-N
MW677.81 g/mol
LogP13.52
Rot. Bonds5

About N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine

N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine (PubChem CID 170177231) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine.

Molecular Properties

Compound NameN-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine
PubChem CID170177231
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC NameN-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2nccc3c2oc2ccccc23)c(-c2ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc2)c1
InChIInChI=1S/C49H31N3O/c1-2-13-35-31-37(27-21-32(35)11-1)52(49-48-43(29-30-50-49)41-17-7-10-20-46(41)53-48)44-18-8-5-14-38(44)34-22-25-36(26-23-34)51-45-19-9-6-16-40(45)42-28-24-33-12-3-4-15-39(33)47(42)51/h1-31H
InChIKeyDVCDQPCOCOZTHR-UHFFFAOYSA-N
XLogP13.52
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine
CID 170177075
N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
CID 170665916
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168781470
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805504
14-(4-dibenzofuran-4-ylphenyl)-3-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 147149838
3-(4-dibenzofuran-4-ylphenyl)-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 126580193
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900
N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
CID 174280518
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 164790749

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine?
The IUPAC name of N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine (CID 170177231) is N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine.
What is the SMILES notation for N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine?
The canonical SMILES for N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine is c1ccc(N(c2ccc3ccccc3c2)c2nccc3c2oc2ccccc23)c(-c2ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc2)c1.
What is the InChIKey of N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine?
The InChIKey is DVCDQPCOCOZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-2-13-35-31-37(27-21-32(35)11-1)52(49-48-43(29-30-50-49)41-17-7-10-20-46(41)53-48)44-18-8-5-14-38(44)34-22-25-36(26-23-34)51-45-19-9-6-16-40(45)42-28-24-33-12-3-4-15-39(33)47(42)51/h1-31H.
What are the key properties of N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine?
N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine has a molecular weight of 677.81 g/mol, XLogP of 13.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridin-1-amine is sourced from PubChem (CID 170177231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).