6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]

C129H81N9 — CID 163991655

About 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]

6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] (PubChem CID 163991655) has the molecular formula C129H81N9 and a molecular weight of 1757.13 g/mol. Its IUPAC name is 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine].

Molecular Properties

• Compound Name: 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]
• PubChem CID: 163991655
• Molecular Formula: C129H81N9
• Molecular Weight: 1757.13 g/mol
• Exact Mass: 1755.66
• IUPAC Name: 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4cc6c(-c7ccccc7)nc7ccccc7c6cc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)N(c2ccccc2)c2cc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)ccc2C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C65H41N5.C64H40N4/c1-3-17-44(18-4-1)64-52-41-63-56(40-51(52)50-23-9-12-26-57(50)69-64)65(53-24-10-7-21-48(53)49-22-8-11-25-54(49)65)55-34-33-45(39-62(55)70(63)47-19-5-2-6-20-47)42-29-31-43(32-30-42)46-37-60(58-27-13-15-35-66-58)68-61(38-46)59-28-14-16-36-67-59;1-4-18-42(19-5-1)62-52-40-60-56(39-51(52)49-26-12-16-30-57(49)65-62)64(53-28-14-10-24-47(53)48-25-11-15-29-54(48)64)55-37-36-45(38-59(55)68(60)46-22-8-3-9-23-46)41-32-34-43(35-33-41)61-50-27-13-17-31-58(50)66-63(67-61)44-20-6-2-7-21-44/h1-41H;1-40H
• InChIKey: UBDMQDJSMDHPKK-UHFFFAOYSA-N
• XLogP: 32.20
• TPSA: 96.71 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1757.13
LogP ≤ 5	32.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?

The IUPAC name of 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] (CID 163991655) is 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine].

What is the SMILES notation for 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?

The canonical SMILES for 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4cc6c(-c7ccccc7)nc7ccccc7c6cc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)N(c2ccccc2)c2cc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)ccc2C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?

The InChIKey is UBDMQDJSMDHPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5.C64H40N4/c1-3-17-44(18-4-1)64-52-41-63-56(40-51(52)50-23-9-12-26-57(50)69-64)65(53-24-10-7-21-48(53)49-22-8-11-25-54(49)65)55-34-33-45(39-62(55)70(63)47-19-5-2-6-20-47)42-29-31-43(32-30-42)46-37-60(58-27-13-15-35-66-58)68-61(38-46)59-28-14-16-36-67-59;1-4-18-42(19-5-1)62-52-40-60-56(39-51(52)49-26-12-16-30-57(49)65-62)64(53-28-14-10-24-47(53)48-25-11-15-29-54(48)64)55-37-36-45(38-59(55)68(60)46-22-8-3-9-23-46)41-32-34-43(35-33-41)61-50-27-13-17-31-58(50)66-63(67-61)44-20-6-2-7-21-44/h1-41H;1-40H.

What are the key properties of 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?

6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] has a molecular weight of 1757.13 g/mol, XLogP of 32.20, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6',8'-diphenyl-10'-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[fluorene-9,13'-quinolino[4,3-b]acridine];10'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] is sourced from PubChem (CID 163991655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).