N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine

C54H34N2O — CID 176795783

IUPACN-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc5c43)c2)c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-13-39(14-4-1)55(42-27-24-36-23-22-35-12-7-8-17-43(35)48(36)34-42)41-28-29-44-37(32-41)26-31-52-53(44)47-20-11-19-45(54(47)57-52)38-25-30-51-49(33-38)46-18-9-10-21-50(46)56(51)40-15-5-2-6-16-40/h1-34H
InChIKeyDBKZYAYSUHVBHK-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

About N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine

N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine (PubChem CID 176795783) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine
PubChem CID176795783
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc5c43)c2)c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-13-39(14-4-1)55(42-27-24-36-23-22-35-12-7-8-17-43(35)48(36)34-42)41-28-29-44-37(32-41)26-31-52-53(44)47-20-11-19-45(54(47)57-52)38-25-30-51-49(33-38)46-18-9-10-21-50(46)56(51)40-15-5-2-6-16-40/h1-34H
InChIKeyDBKZYAYSUHVBHK-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 515.28
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-phenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795688
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167278176
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-2-amine
CID 168805014
N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 155318425
N-phenanthren-3-yl-N-phenyl-3-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795860
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 167331264
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
CID 90125795
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167123619
N-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796020
N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443649
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine?
The IUPAC name of N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine (CID 176795783) is N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine?
The canonical SMILES for N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine is c1ccc(N(c2ccc3c(ccc4oc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc5c43)c2)c2ccc3ccc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine?
The InChIKey is DBKZYAYSUHVBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-13-39(14-4-1)55(42-27-24-36-23-22-35-12-7-8-17-43(35)48(36)34-42)41-28-29-44-37(32-41)26-31-52-53(44)47-20-11-19-45(54(47)57-52)38-25-30-51-49(33-38)46-18-9-10-21-50(46)56(51)40-15-5-2-6-16-40/h1-34H.
What are the key properties of N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine?
N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine has a molecular weight of 726.88 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine is sourced from PubChem (CID 176795783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).