6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine

C102H64N8 — CID 157118523

IUPAC6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8c8c7ccc7ccccc78)cc6)cc5)cc4)nn23)cc1.c1ccc(-c2nc3ccccc3c3cc(-c4ccc(-c5cccc(-c6ccc(-c7nc8ccccc8c8c7ccc7ccccc78)cc6)c5)cc4)nn23)cc1
InChIInChI=1S/2C51H32N4/c1-2-12-38(13-3-1)51-53-45-19-8-6-17-42(45)48-32-47(54-55(48)51)36-25-21-33(22-26-36)39-14-10-15-40(31-39)34-23-27-37(28-24-34)50-44-30-29-35-11-4-5-16-41(35)49(44)43-18-7-9-20-46(43)52-50;1-2-11-40(12-3-1)51-53-45-16-8-6-14-42(45)48-32-47(54-55(48)51)38-26-22-35(23-27-38)33-18-20-34(21-19-33)36-24-28-39(29-25-36)50-44-31-30-37-10-4-5-13-41(37)49(44)43-15-7-9-17-46(43)52-50/h2*1-32H
InChIKeyAHRKQPHLZNGNGV-UHFFFAOYSA-N
MW1401.69 g/mol
LogP26.14
Rot. Bonds10

About 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine

6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine (PubChem CID 157118523) has the molecular formula C102H64N8 and a molecular weight of 1401.69 g/mol. Its IUPAC name is 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine
PubChem CID157118523
Molecular FormulaC102H64N8
Molecular Weight1401.69 g/mol
Exact Mass1400.53
IUPAC Name6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8c8c7ccc7ccccc78)cc6)cc5)cc4)nn23)cc1.c1ccc(-c2nc3ccccc3c3cc(-c4ccc(-c5cccc(-c6ccc(-c7nc8ccccc8c8c7ccc7ccccc78)cc6)c5)cc4)nn23)cc1
InChIInChI=1S/2C51H32N4/c1-2-12-38(13-3-1)51-53-45-19-8-6-17-42(45)48-32-47(54-55(48)51)36-25-21-33(22-26-36)39-14-10-15-40(31-39)34-23-27-37(28-24-34)50-44-30-29-35-11-4-5-16-41(35)49(44)43-18-7-9-20-46(43)52-50;1-2-11-40(12-3-1)51-53-45-16-8-6-14-42(45)48-32-47(54-55(48)51)38-26-22-35(23-27-38)33-18-20-34(21-19-33)36-24-28-39(29-25-36)50-44-31-30-37-10-4-5-13-41(37)49(44)43-15-7-9-17-46(43)52-50/h2*1-32H
InChIKeyAHRKQPHLZNGNGV-UHFFFAOYSA-N
XLogP26.14
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.69
LogP ≤ 526.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine with MolForge

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Related Compounds

6-[4-[3-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665826
14-phenyl-3-[3-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123832
3-phenyl-14-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123256
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
CID 129123324
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine
CID 122665237
6-[4-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665626

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine (CID 157118523) is 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine is c1ccc(-c2nc3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8c8c7ccc7ccccc78)cc6)cc5)cc4)nn23)cc1.c1ccc(-c2nc3ccccc3c3cc(-c4ccc(-c5cccc(-c6ccc(-c7nc8ccccc8c8c7ccc7ccccc78)cc6)c5)cc4)nn23)cc1.
What is the InChIKey of 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine?
The InChIKey is AHRKQPHLZNGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H32N4/c1-2-12-38(13-3-1)51-53-45-19-8-6-17-42(45)48-32-47(54-55(48)51)36-25-21-33(22-26-36)39-14-10-15-40(31-39)34-23-27-37(28-24-34)50-44-30-29-35-11-4-5-16-41(35)49(44)43-18-7-9-20-46(43)52-50;1-2-11-40(12-3-1)51-53-45-16-8-6-14-42(45)48-32-47(54-55(48)51)38-26-22-35(23-27-38)33-18-20-34(21-19-33)36-24-28-39(29-25-36)50-44-31-30-37-10-4-5-13-41(37)49(44)43-15-7-9-17-46(43)52-50/h2*1-32H.
What are the key properties of 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine?
6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine has a molecular weight of 1401.69 g/mol, XLogP of 26.14, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 157118523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).