5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole

C108H65N3 — CID 162167913

IUPAC5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
SMILESc1cc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1.c1cc2c3c(cccc3c1)-c1cc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)ccc1-2.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc-2c13
InChIInChI=1S/2C38H23N.C32H19N/c1-2-13-29-24(8-1)19-21-36-38(29)33-14-3-4-17-35(33)39(36)28-12-5-11-26(22-28)27-18-20-30-31-15-6-9-25-10-7-16-32(37(25)31)34(30)23-27;1-2-10-29-25(7-1)18-22-36-38(29)33-11-3-4-14-35(33)39(36)28-19-15-24(16-20-28)27-17-21-30-31-12-5-8-26-9-6-13-32(37(26)31)34(30)23-27;1-2-9-21-19-31-28(18-20(21)8-1)24-12-5-6-15-29(24)33(31)30-17-16-26-23-11-4-3-10-22(23)25-13-7-14-27(30)32(25)26/h2*1-23H;1-19H
InChIKeyZNJRDUYDIONGER-UHFFFAOYSA-N
MW1404.73 g/mol
LogP29.55
Rot. Bonds5

About 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole

5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole (PubChem CID 162167913) has the molecular formula C108H65N3 and a molecular weight of 1404.73 g/mol. Its IUPAC name is 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole.

Molecular Properties

Compound Name5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
PubChem CID162167913
Molecular FormulaC108H65N3
Molecular Weight1404.73 g/mol
Exact Mass1403.52
IUPAC Name5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
SMILESc1cc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1.c1cc2c3c(cccc3c1)-c1cc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)ccc1-2.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc-2c13
InChIInChI=1S/2C38H23N.C32H19N/c1-2-13-29-24(8-1)19-21-36-38(29)33-14-3-4-17-35(33)39(36)28-12-5-11-26(22-28)27-18-20-30-31-15-6-9-25-10-7-16-32(37(25)31)34(30)23-27;1-2-10-29-25(7-1)18-22-36-38(29)33-11-3-4-14-35(33)39(36)28-19-15-24(16-20-28)27-17-21-30-31-12-5-8-26-9-6-13-32(37(26)31)34(30)23-27;1-2-9-21-19-31-28(18-20(21)8-1)24-12-5-6-15-29(24)33(31)30-17-16-26-23-11-4-3-10-22(23)25-13-7-14-27(30)32(25)26/h2*1-23H;1-19H
InChIKeyZNJRDUYDIONGER-UHFFFAOYSA-N
XLogP29.55
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001404.73
LogP ≤ 529.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919
3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;10-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7-(6-fluoranthen-2-ylnaphthalen-2-yl)-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 158425767
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
2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
CID 161334745
9-(3-naphthalen-1-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylnaphthalen-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163997723
7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 137420887
5-(3-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130294965
9-fluoranthen-3-yl-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-(3-fluoranthen-8-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene;9-(4-fluoranthen-8-ylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 159499237
8-[9-[2-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-[2-(4-fluoranthen-8-ylphenyl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole;11-[3-(4-fluoranthen-8-ylphenyl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 157052314
5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130295046

Frequently Asked Questions

What is the IUPAC name of 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole?
The IUPAC name of 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole (CID 162167913) is 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole.
What is the SMILES notation for 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole?
The canonical SMILES for 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole is c1cc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1.c1cc2c3c(cccc3c1)-c1cc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)ccc1-2.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc-2c13.
What is the InChIKey of 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole?
The InChIKey is ZNJRDUYDIONGER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H23N.C32H19N/c1-2-13-29-24(8-1)19-21-36-38(29)33-14-3-4-17-35(33)39(36)28-12-5-11-26(22-28)27-18-20-30-31-15-6-9-25-10-7-16-32(37(25)31)34(30)23-27;1-2-10-29-25(7-1)18-22-36-38(29)33-11-3-4-14-35(33)39(36)28-19-15-24(16-20-28)27-17-21-30-31-12-5-8-26-9-6-13-32(37(26)31)34(30)23-27;1-2-9-21-19-31-28(18-20(21)8-1)24-12-5-6-15-29(24)33(31)30-17-16-26-23-11-4-3-10-22(23)25-13-7-14-27(30)32(25)26/h2*1-23H;1-19H.
What are the key properties of 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole?
5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole has a molecular weight of 1404.73 g/mol, XLogP of 29.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole is sourced from PubChem (CID 162167913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).