3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole

C124H76N4 — CID 159993956

About 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole

3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 159993956) has the molecular formula C124H76N4 and a molecular weight of 1622.00 g/mol. Its IUPAC name is 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
• PubChem CID: 159993956
• Molecular Formula: C124H76N4
• Molecular Weight: 1622.00 g/mol
• Exact Mass: 1620.61
• IUPAC Name: 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccc8c(c7)-c7cc9ccccc9c9cccc-8c79)c6)ccc54)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)ccc32)cc1
• InChI: InChI=1S/C68H42N2.C56H34N2/c1-2-12-43(13-3-1)44-24-26-45(27-25-44)46-28-33-52(34-29-46)69-64-22-8-6-18-56(64)61-40-49(31-36-66(61)69)50-32-37-67-62(41-50)57-19-7-9-23-65(57)70(67)53-16-10-15-47(38-53)48-30-35-55-59-21-11-20-58-54-17-5-4-14-51(54)42-63(68(58)59)60(55)39-48;1-2-13-37(14-3-1)57-51-23-10-8-19-44(51)49-33-35(25-30-54(49)57)36-26-31-55-50(34-36)45-20-9-11-24-52(45)58(55)53-32-29-41(38-15-6-7-18-43(38)53)42-27-28-48-40-17-5-4-16-39(40)46-21-12-22-47(42)56(46)48/h1-42H;1-34H
• InChIKey: OHHOWLQCXHNUIH-UHFFFAOYSA-N
• XLogP: 33.67
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1622.00
LogP ≤ 5	33.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?

The IUPAC name of 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole (CID 159993956) is 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole.

What is the SMILES notation for 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?

The canonical SMILES for 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccc8c(c7)-c7cc9ccccc9c9cccc-8c79)c6)ccc54)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)ccc32)cc1.

What is the InChIKey of 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?

The InChIKey is OHHOWLQCXHNUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2.C56H34N2/c1-2-12-43(13-3-1)44-24-26-45(27-25-44)46-28-33-52(34-29-46)69-64-22-8-6-18-56(64)61-40-49(31-36-66(61)69)50-32-37-67-62(41-50)57-19-7-9-23-65(57)70(67)53-16-10-15-47(38-53)48-30-35-55-59-21-11-20-58-54-17-5-4-14-51(54)42-63(68(58)59)60(55)39-48;1-2-13-37(14-3-1)57-51-23-10-8-19-44(51)49-33-35(25-30-54(49)57)36-26-31-55-50(34-36)45-20-9-11-24-52(45)58(55)53-32-29-41(38-15-6-7-18-43(38)53)42-27-28-48-40-17-5-4-16-39(40)46-21-12-22-47(42)56(46)48/h1-42H;1-34H.

What are the key properties of 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?

3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 1622.00 g/mol, XLogP of 33.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 159993956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).