1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine

C45H30N2O2 — CID 167454018

IUPAC1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine
SMILESNc1c(-c2ccc3ccccc3c2)cc2oc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C45H30N2O2/c46-44-37(32-20-19-29-9-1-2-11-31(29)25-32)26-41-43(36-14-6-8-16-40(36)49-41)45(44)48-27-28-17-22-33(23-18-28)47-38-15-7-5-13-35(38)42-34-12-4-3-10-30(34)21-24-39(42)47/h1-26H,27,46H2
InChIKeyPXSVLIZXVBWNEE-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.82
Rot. Bonds5

About 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine

1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine (PubChem CID 167454018) has the molecular formula C45H30N2O2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine.

Molecular Properties

Compound Name1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine
PubChem CID167454018
Molecular FormulaC45H30N2O2
Molecular Weight630.75 g/mol
Exact Mass630.23
IUPAC Name1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine
SMILESNc1c(-c2ccc3ccccc3c2)cc2oc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C45H30N2O2/c46-44-37(32-20-19-29-9-1-2-11-31(29)25-32)26-41-43(36-14-6-8-16-40(36)49-41)45(44)48-27-28-17-22-33(23-18-28)47-38-15-7-5-13-35(38)42-34-12-4-3-10-30(34)21-24-39(42)47/h1-26H,27,46H2
InChIKeyPXSVLIZXVBWNEE-UHFFFAOYSA-N
XLogP11.82
TPSA53.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine
CID 167454259
2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167453250
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253549
2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 174338571
9-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167031824
17-(6-naphthalen-2-ylpyren-1-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 171575716
N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
CID 167038212
4,9,14-trinaphthalen-2-yl-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 170928009
9-[4-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032163
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine?
The IUPAC name of 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine (CID 167454018) is 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine.
What is the SMILES notation for 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine?
The canonical SMILES for 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine is Nc1c(-c2ccc3ccccc3c2)cc2oc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine?
The InChIKey is PXSVLIZXVBWNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O2/c46-44-37(32-20-19-29-9-1-2-11-31(29)25-32)26-41-43(36-14-6-8-16-40(36)49-41)45(44)48-27-28-17-22-33(23-18-28)47-38-15-7-5-13-35(38)42-34-12-4-3-10-30(34)21-24-39(42)47/h1-26H,27,46H2.
What are the key properties of 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine?
1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine has a molecular weight of 630.75 g/mol, XLogP of 11.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine is sourced from PubChem (CID 167454018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).