N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine

C48H30N2O — CID 167277374

IUPACN-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(c1)ccc1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4oc5c6ccccc6ccc5c4c3)ccc12
InChIInChI=1S/C48H30N2O/c1-3-11-38-31(9-1)17-18-33-29-36(24-27-39(33)38)49(37-25-28-47-44(30-37)43-26-19-32-10-2-4-12-40(32)48(43)51-47)34-20-22-35(23-21-34)50-45-15-7-5-13-41(45)42-14-6-8-16-46(42)50/h1-30H
InChIKeyGEGCAWCSQHUALP-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.61
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine

N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167277374) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167277374
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(c1)ccc1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4oc5c6ccccc6ccc5c4c3)ccc12
InChIInChI=1S/C48H30N2O/c1-3-11-38-31(9-1)17-18-33-29-36(24-27-39(33)38)49(37-25-28-47-44(30-37)43-26-19-32-10-2-4-12-40(32)48(43)51-47)34-20-22-35(23-21-34)50-45-15-7-5-13-41(45)42-14-6-8-16-46(42)50/h1-30H
InChIKeyGEGCAWCSQHUALP-UHFFFAOYSA-N
XLogP13.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167278176
N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine
CID 167277705
9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359528
N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
CID 174280518
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-2-amine
CID 168805014
N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 167277077
N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
CID 167038212
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167278199
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)phenanthren-2-amine
CID 153314772
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167331207
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CID 167329439

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine (CID 167277374) is N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine is c1ccc2c(c1)ccc1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4oc5c6ccccc6ccc5c4c3)ccc12.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is GEGCAWCSQHUALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-11-38-31(9-1)17-18-33-29-36(24-27-39(33)38)49(37-25-28-47-44(30-37)43-26-19-32-10-2-4-12-40(32)48(43)51-47)34-20-22-35(23-21-34)50-45-15-7-5-13-41(45)42-14-6-8-16-46(42)50/h1-30H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine?
N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 650.78 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167277374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).