6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

C118H70N4O2S — CID 163547007

About 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 163547007) has the molecular formula C118H70N4O2S and a molecular weight of 1607.95 g/mol. Its IUPAC name is 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• PubChem CID: 163547007
• Molecular Formula: C118H70N4O2S
• Molecular Weight: 1607.95 g/mol
• Exact Mass: 1606.52
• IUPAC Name: 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5nc(-c6ccccc6)c6ccc7c(c6c5c4)Oc4ccccc4C74c5ccccc5-c5ccccc54)c4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5ccc6c(c5c4c3)Oc3ccccc3C63c4ccccc4-c4ccccc43)c3sc4ccccc4c3n2)cc1
• InChI: InChI=1S/C64H39NO.C54H31N3OS/c1-3-17-40(18-4-1)41-31-33-42(34-32-41)59-47-23-7-9-25-49(47)60(50-26-10-8-24-48(50)59)44-35-38-57-52(39-44)61-51(62(65-57)43-19-5-2-6-20-43)36-37-56-63(61)66-58-30-16-15-29-55(58)64(56)53-27-13-11-21-45(53)46-22-12-14-28-54(46)64;1-3-15-32(16-4-1)48-38-28-29-43-51(58-45-25-13-12-24-42(45)54(43)40-22-10-7-19-35(40)36-20-8-11-23-41(36)54)47(38)39-31-34(27-30-44(39)55-48)49-52-50(37-21-9-14-26-46(37)59-52)57-53(56-49)33-17-5-2-6-18-33/h1-39H;1-31H
• InChIKey: FFWPNDYVHMZJPJ-UHFFFAOYSA-N
• XLogP: 30.85
• TPSA: 70.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1607.95
LogP ≤ 5	30.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The IUPAC name of 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 163547007) is 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

What is the SMILES notation for 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The canonical SMILES for 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5nc(-c6ccccc6)c6ccc7c(c6c5c4)Oc4ccccc4C74c5ccccc5-c5ccccc54)c4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4nc(-c5ccccc5)c5ccc6c(c5c4c3)Oc3ccccc3C63c4ccccc4-c4ccccc43)c3sc4ccccc4c3n2)cc1.

What is the InChIKey of 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The InChIKey is FFWPNDYVHMZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NO.C54H31N3OS/c1-3-17-40(18-4-1)41-31-33-42(34-32-41)59-47-23-7-9-25-49(47)60(50-26-10-8-24-48(50)59)44-35-38-57-52(39-44)61-51(62(65-57)43-19-5-2-6-20-43)36-37-56-63(61)66-58-30-16-15-29-55(58)64(56)53-27-13-11-21-45(53)46-22-12-14-28-54(46)64;1-3-15-32(16-4-1)48-38-28-29-43-51(58-45-25-13-12-24-42(45)54(43)40-22-10-7-19-35(40)36-20-8-11-23-41(36)54)47(38)39-31-34(27-30-44(39)55-48)49-52-50(37-21-9-14-26-46(37)59-52)57-53(56-49)33-17-5-2-6-18-33/h1-39H;1-31H.

What are the key properties of 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 1607.95 g/mol, XLogP of 30.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-2-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 163547007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).