1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline

C121H75N7 — CID 126632834

About 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline

1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline (PubChem CID 126632834) has the molecular formula C121H75N7 and a molecular weight of 1626.98 g/mol. Its IUPAC name is 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline.

Molecular Properties

• Compound Name: 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
• PubChem CID: 126632834
• Molecular Formula: C121H75N7
• Molecular Weight: 1626.98 g/mol
• Exact Mass: 1625.61
• IUPAC Name: 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
• SMILES: c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)cc6)c6c(ccc7ccccc76)n5)cc4)ccc32)cc1
• InChI: InChI=1S/C121H75N7/c1-5-24-76(25-6-1)118-97-37-16-15-33-93(97)99-67-79(45-58-98(99)118)83-50-63-116-103(71-83)104-72-86(82-49-62-113-102(70-82)96-36-19-22-40-110(96)126(113)89-30-11-4-12-31-89)53-66-117(104)128(116)91-56-43-78(44-57-91)121-122-107-59-46-75-23-13-14-32-92(75)119(107)120(123-121)77-41-54-90(55-42-77)127-114-64-51-84(80-47-60-111-100(68-80)94-34-17-20-38-108(94)124(111)87-26-7-2-8-27-87)73-105(114)106-74-85(52-65-115(106)127)81-48-61-112-101(69-81)95-35-18-21-39-109(95)125(112)88-28-9-3-10-29-88/h1-74,118H
• InChIKey: ITJODKNVNOSMHN-UHFFFAOYSA-N
• XLogP: 31.43
• TPSA: 50.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1626.98
LogP ≤ 5	31.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline?

The IUPAC name of 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline (CID 126632834) is 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline.

What is the SMILES notation for 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline?

The canonical SMILES for 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline is c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)cc6)c6c(ccc7ccccc76)n5)cc4)ccc32)cc1.

What is the InChIKey of 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline?

The InChIKey is ITJODKNVNOSMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H75N7/c1-5-24-76(25-6-1)118-97-37-16-15-33-93(97)99-67-79(45-58-98(99)118)83-50-63-116-103(71-83)104-72-86(82-49-62-113-102(70-82)96-36-19-22-40-110(96)126(113)89-30-11-4-12-31-89)53-66-117(104)128(116)91-56-43-78(44-57-91)121-122-107-59-46-75-23-13-14-32-92(75)119(107)120(123-121)77-41-54-90(55-42-77)127-114-64-51-84(80-47-60-111-100(68-80)94-34-17-20-38-108(94)124(111)87-26-7-2-8-27-87)73-105(114)106-74-85(52-65-115(106)127)81-48-61-112-101(69-81)95-35-18-21-39-109(95)125(112)88-28-9-3-10-29-88/h1-74,118H.

What are the key properties of 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline?

1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline has a molecular weight of 1626.98 g/mol, XLogP of 31.43, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline is sourced from PubChem (CID 126632834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).