2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole

C109H66N8 — CID 58142202

IUPAC2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc(C4(c5cc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C109H66N8/c1-5-33-73(34-6-1)114-101-91-55-25-17-45-81(91)77-41-13-21-51-87(77)97(101)110-105(114)67-61-68(106-111-98-88-52-22-14-42-78(88)82-46-18-26-56-92(82)102(98)115(106)74-35-7-2-8-36-74)64-71(63-67)109(95-59-31-29-49-85(95)86-50-30-32-60-96(86)109)72-65-69(107-112-99-89-53-23-15-43-79(89)83-47-19-27-57-93(83)103(99)116(107)75-37-9-3-10-38-75)62-70(66-72)108-113-100-90-54-24-16-44-80(90)84-48-20-28-58-94(84)104(100)117(108)76-39-11-4-12-40-76/h1-66H
InChIKeyWLZHRWLFURVCPU-UHFFFAOYSA-N
MW1487.78 g/mol
LogP27.30
Rot. Bonds10

About 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole

2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole (PubChem CID 58142202) has the molecular formula C109H66N8 and a molecular weight of 1487.78 g/mol. Its IUPAC name is 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
PubChem CID58142202
Molecular FormulaC109H66N8
Molecular Weight1487.78 g/mol
Exact Mass1486.54
IUPAC Name2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc(C4(c5cc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C109H66N8/c1-5-33-73(34-6-1)114-101-91-55-25-17-45-81(91)77-41-13-21-51-87(77)97(101)110-105(114)67-61-68(106-111-98-88-52-22-14-42-78(88)82-46-18-26-56-92(82)102(98)115(106)74-35-7-2-8-36-74)64-71(63-67)109(95-59-31-29-49-85(95)86-50-30-32-60-96(86)109)72-65-69(107-112-99-89-53-23-15-43-79(89)83-47-19-27-57-93(83)103(99)116(107)75-37-9-3-10-38-75)62-70(66-72)108-113-100-90-54-24-16-44-80(90)84-48-20-28-58-94(84)104(100)117(108)76-39-11-4-12-40-76/h1-66H
InChIKeyWLZHRWLFURVCPU-UHFFFAOYSA-N
XLogP27.30
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001487.78
LogP ≤ 527.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole (CID 58142202) is 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole is c1ccc(-n2c(-c3cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc(C4(c5cc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)cc(-c6nc7c8ccccc8c8ccccc8c7n6-c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)nc3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole?
The InChIKey is WLZHRWLFURVCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H66N8/c1-5-33-73(34-6-1)114-101-91-55-25-17-45-81(91)77-41-13-21-51-87(77)97(101)110-105(114)67-61-68(106-111-98-88-52-22-14-42-78(88)82-46-18-26-56-92(82)102(98)115(106)74-35-7-2-8-36-74)64-71(63-67)109(95-59-31-29-49-85(95)86-50-30-32-60-96(86)109)72-65-69(107-112-99-89-53-23-15-43-79(89)83-47-19-27-57-93(83)103(99)116(107)75-37-9-3-10-38-75)62-70(66-72)108-113-100-90-54-24-16-44-80(90)84-48-20-28-58-94(84)104(100)117(108)76-39-11-4-12-40-76/h1-66H.
What are the key properties of 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole?
2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole has a molecular weight of 1487.78 g/mol, XLogP of 27.30, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-[3,5-bis(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]fluoren-9-yl]-5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 58142202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).