5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole

C69H45N5O — CID 163601056

IUPAC5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole
SMILESC1=CC2C(C=C1c1ccccc1-c1ccccn1)c1cc(-c3ccccc3-c3ccccn3)ccc1N2c1ccc2oc3c(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5ncccc54)cccc3c2c1
InChIInChI=1S/C69H45N5O/c1-2-16-44(17-3-1)49-18-4-5-19-50(49)47-31-35-64-59(42-47)68-65(28-15-39-72-68)74(64)66-27-14-24-55-58-43-48(32-36-67(58)75-69(55)66)73-62-33-29-45(51-20-6-8-22-53(51)60-25-10-12-37-70-60)40-56(62)57-41-46(30-34-63(57)73)52-21-7-9-23-54(52)61-26-11-13-38-71-61/h1-43,56,62H
InChIKeyGXRDDRKFXFAFEN-UHFFFAOYSA-N
MW960.15 g/mol
LogP17.46
Rot. Bonds8

About 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole

5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole (PubChem CID 163601056) has the molecular formula C69H45N5O and a molecular weight of 960.15 g/mol. Its IUPAC name is 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole
PubChem CID163601056
Molecular FormulaC69H45N5O
Molecular Weight960.15 g/mol
Exact Mass959.36
IUPAC Name5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole
SMILESC1=CC2C(C=C1c1ccccc1-c1ccccn1)c1cc(-c3ccccc3-c3ccccn3)ccc1N2c1ccc2oc3c(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5ncccc54)cccc3c2c1
InChIInChI=1S/C69H45N5O/c1-2-16-44(17-3-1)49-18-4-5-19-50(49)47-31-35-64-59(42-47)68-65(28-15-39-72-68)74(64)66-27-14-24-55-58-43-48(32-36-67(58)75-69(55)66)73-62-33-29-45(51-20-6-8-22-53(51)60-25-10-12-37-70-60)40-56(62)57-41-46(30-34-63(57)73)52-21-7-9-23-54(52)61-26-11-13-38-71-61/h1-43,56,62H
InChIKeyGXRDDRKFXFAFEN-UHFFFAOYSA-N
XLogP17.46
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.15
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole with MolForge

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Related Compounds

5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 67094853
5-dibenzofuran-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-dibenzothiophen-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-phenylpyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 157173487
4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 161196430
9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
CID 163934988
3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole
CID 159845529
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
5,11-diphenylindolo[3,2-b]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene;9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 165079740
5-[4,6-bis(pyrido[3,2-b]indol-5-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,7-diphenyl-1,10-phenanthroline;8-(2-pyridin-2-ylphenyl)-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;8-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine;8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160775042
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
CID 142336402
3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008

Frequently Asked Questions

What is the IUPAC name of 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole?
The IUPAC name of 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole (CID 163601056) is 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole?
The canonical SMILES for 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole is C1=CC2C(C=C1c1ccccc1-c1ccccn1)c1cc(-c3ccccc3-c3ccccn3)ccc1N2c1ccc2oc3c(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5ncccc54)cccc3c2c1.
What is the InChIKey of 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole?
The InChIKey is GXRDDRKFXFAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5O/c1-2-16-44(17-3-1)49-18-4-5-19-50(49)47-31-35-64-59(42-47)68-65(28-15-39-72-68)74(64)66-27-14-24-55-58-43-48(32-36-67(58)75-69(55)66)73-62-33-29-45(51-20-6-8-22-53(51)60-25-10-12-37-70-60)40-56(62)57-41-46(30-34-63(57)73)52-21-7-9-23-54(52)61-26-11-13-38-71-61/h1-43,56,62H.
What are the key properties of 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole?
5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole has a molecular weight of 960.15 g/mol, XLogP of 17.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole is sourced from PubChem (CID 163601056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).