9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole

C150H100BrN5 — CID 159346046

About 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole

9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole (PubChem CID 159346046) has the molecular formula C150H100BrN5 and a molecular weight of 2052.39 g/mol. Its IUPAC name is 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole
• PubChem CID: 159346046
• Molecular Formula: C150H100BrN5
• Molecular Weight: 2052.39 g/mol
• Exact Mass: 2049.72
• IUPAC Name: 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole
• SMILES: Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.C.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C5)ccc32)cc1
• InChI: InChI=1S/C74H47N3.C49H32N2.C26H17Br.CH4/c1-4-18-48(19-5-1)73-59-26-10-12-28-61(59)74(62-29-13-11-27-60(62)73)49-32-38-56(39-33-49)77-71-42-36-52(50-34-40-69-63(44-50)57-24-14-16-30-67(57)75(69)54-20-6-2-7-21-54)46-65(71)66-47-53(37-43-72(66)77)51-35-41-70-64(45-51)58-25-15-17-31-68(58)76(70)55-22-8-3-9-23-55;1-3-11-38(12-4-1)50-46-17-9-7-15-40(46)44-30-34(23-25-48(44)50)32-19-21-36-27-37-22-20-33(29-43(37)42(36)28-32)35-24-26-49-45(31-35)41-16-8-10-18-47(41)51(49)39-13-5-2-6-14-39;27-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26;/h1-47H;1-26,28-31H,27H2;1-17H;1H4
• InChIKey: LGSVYTAORLUKIQ-UHFFFAOYSA-N
• XLogP: 41.46
• TPSA: 24.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2052.39
LogP ≤ 5	41.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole?

The IUPAC name of 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole (CID 159346046) is 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole.

What is the SMILES notation for 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole?

The canonical SMILES for 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole is Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.C.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C5)ccc32)cc1.

What is the InChIKey of 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole?

The InChIKey is LGSVYTAORLUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47N3.C49H32N2.C26H17Br.CH4/c1-4-18-48(19-5-1)73-59-26-10-12-28-61(59)74(62-29-13-11-27-60(62)73)49-32-38-56(39-33-49)77-71-42-36-52(50-34-40-69-63(44-50)57-24-14-16-30-67(57)75(69)54-20-6-2-7-21-54)46-65(71)66-47-53(37-43-72(66)77)51-35-41-70-64(45-51)58-25-15-17-31-68(58)76(70)55-22-8-3-9-23-55;1-3-11-38(12-4-1)50-46-17-9-7-15-40(46)44-30-34(23-25-48(44)50)32-19-21-36-27-37-22-20-33(29-43(37)42(36)28-32)35-24-26-49-45(31-35)41-16-8-10-18-47(41)51(49)39-13-5-2-6-14-39;27-20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26;/h1-47H;1-26,28-31H,27H2;1-17H;1H4.

What are the key properties of 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole?

9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole has a molecular weight of 2052.39 g/mol, XLogP of 41.46, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 159346046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).