6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine

C117H70N6O3 — CID 159402466

IUPAC6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine
SMILESc1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccccc12.c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1ccc3oc4ccccc4c3c1)c1ccccc12.c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1cccc3c1oc1ccccc13)c1ccccc12
InChIInChI=1S/C43H26N2O.2C37H22N2O/c1-2-14-35-31(10-1)32-11-3-6-17-38(32)44-42(35)28-22-25-40-37(26-28)33-12-4-7-18-39(33)45(40)29-23-20-27(21-24-29)30-15-9-16-36-34-13-5-8-19-41(34)46-43(30)36;1-2-14-28-24(10-1)25-11-3-6-16-31(25)38-36(28)23-20-21-33-30(22-23)26-12-4-7-17-32(26)39(33)34-18-9-15-29-27-13-5-8-19-35(27)40-37(29)34;1-2-13-29-25(9-1)26-10-3-6-14-32(26)38-37(29)23-17-19-34-30(21-23)27-11-4-7-15-33(27)39(34)24-18-20-36-31(22-24)28-12-5-8-16-35(28)40-36/h1-26H;2*1-22H
InChIKeyLNNCKEZHOUJUFX-UHFFFAOYSA-N
MW1607.89 g/mol
LogP31.82
Rot. Bonds7

About 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine

6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine (PubChem CID 159402466) has the molecular formula C117H70N6O3 and a molecular weight of 1607.89 g/mol. Its IUPAC name is 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine.

Molecular Properties

Compound Name6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine
PubChem CID159402466
Molecular FormulaC117H70N6O3
Molecular Weight1607.89 g/mol
Exact Mass1606.55
IUPAC Name6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine
SMILESc1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccccc12.c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1ccc3oc4ccccc4c3c1)c1ccccc12.c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1cccc3c1oc1ccccc13)c1ccccc12
InChIInChI=1S/C43H26N2O.2C37H22N2O/c1-2-14-35-31(10-1)32-11-3-6-17-38(32)44-42(35)28-22-25-40-37(26-28)33-12-4-7-18-39(33)45(40)29-23-20-27(21-24-29)30-15-9-16-36-34-13-5-8-19-41(34)46-43(30)36;1-2-14-28-24(10-1)25-11-3-6-16-31(25)38-36(28)23-20-21-33-30(22-23)26-12-4-7-17-32(26)39(33)34-18-9-15-29-27-13-5-8-19-35(27)40-37(29)34;1-2-13-29-25(9-1)26-10-3-6-14-32(26)38-37(29)23-17-19-34-30(21-23)27-11-4-7-15-33(27)39(34)24-18-20-36-31(22-24)28-12-5-8-16-35(28)40-36/h1-26H;2*1-22H
InChIKeyLNNCKEZHOUJUFX-UHFFFAOYSA-N
XLogP31.82
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001607.89
LogP ≤ 531.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 157053700
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
9-(6-carbazol-9-yldibenzofuran-2-yl)-3-(8-carbazol-9-yldibenzofuran-4-yl)carbazole;3-[6-[9-(6-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[6-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 159668391
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
CID 121337166
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-[9-(7-dibenzofuran-2-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(7-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 157245653
11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 126629005

Frequently Asked Questions

What is the IUPAC name of 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine?
The IUPAC name of 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine (CID 159402466) is 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine.
What is the SMILES notation for 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine?
The canonical SMILES for 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine is c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccccc12.c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1ccc3oc4ccccc4c3c1)c1ccccc12.c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3-c1cccc3c1oc1ccccc13)c1ccccc12.
What is the InChIKey of 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine?
The InChIKey is LNNCKEZHOUJUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O.2C37H22N2O/c1-2-14-35-31(10-1)32-11-3-6-17-38(32)44-42(35)28-22-25-40-37(26-28)33-12-4-7-18-39(33)45(40)29-23-20-27(21-24-29)30-15-9-16-36-34-13-5-8-19-41(34)46-43(30)36;1-2-14-28-24(10-1)25-11-3-6-16-31(25)38-36(28)23-20-21-33-30(22-23)26-12-4-7-17-32(26)39(33)34-18-9-15-29-27-13-5-8-19-35(27)40-37(29)34;1-2-13-29-25(9-1)26-10-3-6-14-32(26)38-37(29)23-17-19-34-30(21-23)27-11-4-7-15-33(27)39(34)24-18-20-36-31(22-24)28-12-5-8-16-35(28)40-36/h1-26H;2*1-22H.
What are the key properties of 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine?
6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine has a molecular weight of 1607.89 g/mol, XLogP of 31.82, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-dibenzofuran-2-ylcarbazol-3-yl)phenanthridine;6-(9-dibenzofuran-4-ylcarbazol-3-yl)phenanthridine;6-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenanthridine is sourced from PubChem (CID 159402466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).