N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine

C162H104N4OS — CID 163651417

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc12.c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc12
InChIInChI=1S/C58H37NO.C52H34N2.C52H33NS/c1-2-12-39(13-3-1)50-20-10-22-54-55-23-11-21-51(58(55)60-57(50)54)41-28-33-46(34-29-41)59(56-37-43-15-5-7-17-48(43)52-18-8-9-19-53(52)56)45-31-26-38(27-32-45)42-30-35-49-44(36-42)25-24-40-14-4-6-16-47(40)49;1-3-13-43-36(11-1)21-22-39-33-37(25-32-45(39)43)35-23-26-40(27-24-35)53(52-34-38-12-2-4-14-44(38)46-15-5-6-16-47(46)52)41-28-30-42(31-29-41)54-50-19-9-7-17-48(50)49-18-8-10-20-51(49)54;1-3-12-42-35(10-1)20-21-39-32-37(26-31-44(39)42)34-22-27-40(28-23-34)53(50-33-38-11-2-4-13-43(38)46-14-5-6-15-47(46)50)41-29-24-36(25-30-41)45-17-9-18-49-48-16-7-8-19-51(48)54-52(45)49/h1-37H;1-34H;1-33H
InChIKeyIMOJWTUAICDNCZ-UHFFFAOYSA-N
MW2154.71 g/mol
LogP46.67
Rot. Bonds16

About N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine

N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine (PubChem CID 163651417) has the molecular formula C162H104N4OS and a molecular weight of 2154.71 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine
PubChem CID163651417
Molecular FormulaC162H104N4OS
Molecular Weight2154.71 g/mol
Exact Mass2152.79
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc12.c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc12
InChIInChI=1S/C58H37NO.C52H34N2.C52H33NS/c1-2-12-39(13-3-1)50-20-10-22-54-55-23-11-21-51(58(55)60-57(50)54)41-28-33-46(34-29-41)59(56-37-43-15-5-7-17-48(43)52-18-8-9-19-53(52)56)45-31-26-38(27-32-45)42-30-35-49-44(36-42)25-24-40-14-4-6-16-47(40)49;1-3-13-43-36(11-1)21-22-39-33-37(25-32-45(39)43)35-23-26-40(27-24-35)53(52-34-38-12-2-4-14-44(38)46-15-5-6-16-47(46)52)41-28-30-42(31-29-41)54-50-19-9-7-17-48(50)49-18-8-10-20-51(49)54;1-3-12-42-35(10-1)20-21-39-32-37(26-31-44(39)42)34-22-27-40(28-23-34)53(50-33-38-11-2-4-13-43(38)46-14-5-6-15-47(46)50)41-29-24-36(25-30-41)45-17-9-18-49-48-16-7-8-19-51(48)54-52(45)49/h1-37H;1-34H;1-33H
InChIKeyIMOJWTUAICDNCZ-UHFFFAOYSA-N
XLogP46.67
TPSA27.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002154.71
LogP ≤ 546.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine (CID 163651417) is N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine is c1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc12.c1ccc2c(c1)ccc1cc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc12.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine?
The InChIKey is IMOJWTUAICDNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO.C52H34N2.C52H33NS/c1-2-12-39(13-3-1)50-20-10-22-54-55-23-11-21-51(58(55)60-57(50)54)41-28-33-46(34-29-41)59(56-37-43-15-5-7-17-48(43)52-18-8-9-19-53(52)56)45-31-26-38(27-32-45)42-30-35-49-44(36-42)25-24-40-14-4-6-16-47(40)49;1-3-13-43-36(11-1)21-22-39-33-37(25-32-45(39)43)35-23-26-40(27-24-35)53(52-34-38-12-2-4-14-44(38)46-15-5-6-16-47(46)52)41-28-30-42(31-29-41)54-50-19-9-7-17-48(50)49-18-8-10-20-51(49)54;1-3-12-42-35(10-1)20-21-39-32-37(26-31-44(39)42)34-22-27-40(28-23-34)53(50-33-38-11-2-4-13-43(38)46-14-5-6-15-47(46)50)41-29-24-36(25-30-41)45-17-9-18-49-48-16-7-8-19-51(48)54-52(45)49/h1-37H;1-34H;1-33H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine?
N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine has a molecular weight of 2154.71 g/mol, XLogP of 46.67, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 163651417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).