3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole

About 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole

3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 161046718) has the molecular formula C152H94N6 and a molecular weight of 2004.47 g/mol. Its IUPAC name is 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name	3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID	161046718
Molecular Formula	C152H94N6
Molecular Weight	2004.47 g/mol
Exact Mass	2002.75
IUPAC Name	3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole
SMILES	c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc7ccc8ccccc8c7c7c6ccc6ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(ccc8c9ccccc9ccc78)c6)c5c4)ccc32)cc1
InChI	InChI=1S/2C52H32N2.C48H30N2/c1-2-14-38(15-3-1)53-46-20-10-9-19-42(46)45-30-35(26-29-48(45)53)36-25-27-43-41-18-8-11-21-47(41)54(49(43)31-36)50-32-37-23-22-33-12-4-6-16-39(33)51(37)52-40-17-7-5-13-34(40)24-28-44(50)52;1-2-11-36(12-3-1)53-49-20-9-7-16-42(49)47-31-34(24-30-50(47)53)35-23-27-43-41-15-6-8-19-48(41)54(51(43)32-35)37-25-21-33(22-26-37)38-28-29-46-40-14-5-4-13-39(40)45-18-10-17-44(38)52(45)46;1-2-11-35(12-3-1)49-46-17-9-7-15-42(46)44-29-32(21-27-47(44)49)33-19-25-43-41-14-6-8-16-45(41)50(48(43)30-33)36-22-26-38-34(28-36)20-24-39-37-13-5-4-10-31(37)18-23-40(38)39/h2*1-32H;1-30H
InChIKey	UBPAXENVHZCWFK-UHFFFAOYSA-N
XLogP	41.18
TPSA	29.58 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	158
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2004.47
LogP ≤ 5	41.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole (CID 161046718) is 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc7ccc8ccccc8c7c7c6ccc6ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc7c(ccc8c9ccccc9ccc78)c6)c5c4)ccc32)cc1.

What is the InChIKey of 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole?

The InChIKey is UBPAXENVHZCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N2.C48H30N2/c1-2-14-38(15-3-1)53-46-20-10-9-19-42(46)45-30-35(26-29-48(45)53)36-25-27-43-41-18-8-11-21-47(41)54(49(43)31-36)50-32-37-23-22-33-12-4-6-16-39(33)51(37)52-40-17-7-5-13-34(40)24-28-44(50)52;1-2-11-36(12-3-1)53-49-20-9-7-16-42(49)47-31-34(24-30-50(47)53)35-23-27-43-41-15-6-8-19-48(41)54(51(43)32-35)37-25-21-33(22-26-37)38-28-29-46-40-14-5-4-13-39(40)45-18-10-17-44(38)52(45)46;1-2-11-35(12-3-1)49-46-17-9-7-15-42(46)44-29-32(21-27-47(44)49)33-19-25-43-41-14-6-8-16-45(41)50(48(43)30-33)36-22-26-38-34(28-36)20-24-39-37-13-5-4-10-31(37)18-23-40(38)39/h2*1-32H;1-30H.

What are the key properties of 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole?

Where does this data come from?

All data for 3-(9-chrysen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-[9-(4-fluoranthen-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 161046718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).