2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole

C164H106N6 — CID 159388535

IUPAC2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)c5c4)cc32)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc8ccccc78)cc6)c5c4)cc32)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7c8ccccc8cc8ccccc78)c6)c5c4)cc32)cc1
InChIInChI=1S/2C56H36N2.C52H34N2/c1-2-15-37(16-3-1)44-21-8-11-26-51(44)58-53-28-13-10-25-48(53)50-32-30-39(36-55(50)58)38-29-31-49-47-24-9-12-27-52(47)57(54(49)35-38)43-20-14-19-42(34-43)56-45-22-6-4-17-40(45)33-41-18-5-7-23-46(41)56;1-2-14-37(15-3-1)44-18-8-11-23-51(44)58-53-25-13-10-22-48(53)50-33-29-40(36-55(50)58)39-28-32-49-47-21-9-12-24-52(47)57(54(49)35-39)43-30-26-38(27-31-43)56-45-19-6-4-16-41(45)34-42-17-5-7-20-46(42)56;1-2-13-36(14-3-1)43-18-6-9-22-48(43)54-50-24-11-8-20-45(50)47-32-28-39(34-52(47)54)38-27-31-46-44-19-7-10-23-49(44)53(51(46)33-38)40-29-25-37(26-30-40)42-21-12-16-35-15-4-5-17-41(35)42/h2*1-36H;1-34H
InChIKeyLLUSWUHIPIDHLO-UHFFFAOYSA-N
MW2160.69 g/mol
LogP44.41
Rot. Bonds15

About 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole

2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 159388535) has the molecular formula C164H106N6 and a molecular weight of 2160.69 g/mol. Its IUPAC name is 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole
PubChem CID159388535
Molecular FormulaC164H106N6
Molecular Weight2160.69 g/mol
Exact Mass2158.85
IUPAC Name2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)c5c4)cc32)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc8ccccc78)cc6)c5c4)cc32)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7c8ccccc8cc8ccccc78)c6)c5c4)cc32)cc1
InChIInChI=1S/2C56H36N2.C52H34N2/c1-2-15-37(16-3-1)44-21-8-11-26-51(44)58-53-28-13-10-25-48(53)50-32-30-39(36-55(50)58)38-29-31-49-47-24-9-12-27-52(47)57(54(49)35-38)43-20-14-19-42(34-43)56-45-22-6-4-17-40(45)33-41-18-5-7-23-46(41)56;1-2-14-37(15-3-1)44-18-8-11-23-51(44)58-53-25-13-10-22-48(53)50-33-29-40(36-55(50)58)39-28-32-49-47-21-9-12-24-52(47)57(54(49)35-39)43-30-26-38(27-31-43)56-45-19-6-4-16-41(45)34-42-17-5-7-20-46(42)56;1-2-13-36(14-3-1)43-18-6-9-22-48(43)54-50-24-11-8-20-45(50)47-32-28-39(34-52(47)54)38-27-31-46-44-19-7-10-23-49(44)53(51(46)33-38)40-29-25-37(26-30-40)42-21-12-16-35-15-4-5-17-41(35)42/h2*1-36H;1-34H
InChIKeyLLUSWUHIPIDHLO-UHFFFAOYSA-N
XLogP44.41
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms170
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002160.69
LogP ≤ 544.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole (CID 159388535) is 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7c8ccccc8cc8ccccc78)cc6)c5c4)cc32)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc8ccccc78)cc6)c5c4)cc32)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7c8ccccc8cc8ccccc78)c6)c5c4)cc32)cc1.
What is the InChIKey of 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is LLUSWUHIPIDHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H36N2.C52H34N2/c1-2-15-37(16-3-1)44-21-8-11-26-51(44)58-53-28-13-10-25-48(53)50-32-30-39(36-55(50)58)38-29-31-49-47-24-9-12-27-52(47)57(54(49)35-38)43-20-14-19-42(34-43)56-45-22-6-4-17-40(45)33-41-18-5-7-23-46(41)56;1-2-14-37(15-3-1)44-18-8-11-23-51(44)58-53-25-13-10-22-48(53)50-33-29-40(36-55(50)58)39-28-32-49-47-21-9-12-24-52(47)57(54(49)35-39)43-30-26-38(27-31-43)56-45-19-6-4-16-41(45)34-42-17-5-7-20-46(42)56;1-2-13-36(14-3-1)43-18-6-9-22-48(43)54-50-24-11-8-20-45(50)47-32-28-39(34-52(47)54)38-27-31-46-44-19-7-10-23-49(44)53(51(46)33-38)40-29-25-37(26-30-40)42-21-12-16-35-15-4-5-17-41(35)42/h2*1-36H;1-34H.
What are the key properties of 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole?
2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 2160.69 g/mol, XLogP of 44.41, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 159388535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).