5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C79H49N5O — CID 165061618

IUPAC5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C79H49N5O/c1-48-23-22-24-49(47-48)72-74(80-61-35-12-2-25-50(61)51-26-3-13-36-62(51)80)76(82-65-39-16-6-29-54(65)55-30-7-17-40-66(55)82)78(84-69-43-20-10-34-60(69)73-70(84)46-45-59-58-33-11-21-44-71(58)85-79(59)73)77(83-67-41-18-8-31-56(67)57-32-9-19-42-68(57)83)75(72)81-63-37-14-4-27-52(63)53-28-5-15-38-64(53)81/h2-47H,1H3
InChIKeyXPXIUCIIKXGELZ-UHFFFAOYSA-N
MW1084.30 g/mol
LogP21.05
Rot. Bonds6

About 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 165061618) has the molecular formula C79H49N5O and a molecular weight of 1084.30 g/mol. Its IUPAC name is 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID165061618
Molecular FormulaC79H49N5O
Molecular Weight1084.30 g/mol
Exact Mass1083.39
IUPAC Name5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C79H49N5O/c1-48-23-22-24-49(47-48)72-74(80-61-35-12-2-25-50(61)51-26-3-13-36-62(51)80)76(82-65-39-16-6-29-54(65)55-30-7-17-40-66(55)82)78(84-69-43-20-10-34-60(69)73-70(84)46-45-59-58-33-11-21-44-71(58)85-79(59)73)77(83-67-41-18-8-31-56(67)57-32-9-19-42-68(57)83)75(72)81-63-37-14-4-27-52(63)53-28-5-15-38-64(53)81/h2-47H,1H3
InChIKeyXPXIUCIIKXGELZ-UHFFFAOYSA-N
XLogP21.05
TPSA37.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.30
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole
CID 165016795
2,4,6-tri(carbazol-9-yl)-5-(2-methyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 146325275
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
2,6-di(carbazol-9-yl)-3,5-bis(4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-4-phenylbenzonitrile
CID 170001407
2,3,6-tri(carbazol-9-yl)-4-phenyl-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 170670798
3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(carbazol-9-yl)-4-methylbenzonitrile
CID 170001456
3,4,5-tris([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(dibenzofuran-2-yl)benzonitrile
CID 139441514
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552827
5-isocyano-2,4-bis(2-methyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-phenylbenzonitrile
CID 168824359
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 160969455

Frequently Asked Questions

What is the IUPAC name of 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 165061618) is 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is XPXIUCIIKXGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H49N5O/c1-48-23-22-24-49(47-48)72-74(80-61-35-12-2-25-50(61)51-26-3-13-36-62(51)80)76(82-65-39-16-6-29-54(65)55-30-7-17-40-66(55)82)78(84-69-43-20-10-34-60(69)73-70(84)46-45-59-58-33-11-21-44-71(58)85-79(59)73)77(83-67-41-18-8-31-56(67)57-32-9-19-42-68(57)83)75(72)81-63-37-14-4-27-52(63)53-28-5-15-38-64(53)81/h2-47H,1H3.
What are the key properties of 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1084.30 g/mol, XLogP of 21.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 165061618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).