12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole

C96H58N4O2 — CID 167193369

IUPAC12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5ccc(-c6ccc7oc8cc9c%10ccccc%10n(-c%10ccc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)cc%10)c9cc8c7c6)cc5)cc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c32)cc1
InChIInChI=1S/C96H58N4O2/c1-2-14-59(15-3-1)68-39-50-79-81-52-51-80-78-49-38-67(55-90(78)100(95(80)96(81)102-93(79)56-68)72-47-36-63(37-48-72)61-32-43-70(44-33-61)98-87-23-11-6-18-75(87)76-19-7-12-24-88(76)98)65-28-26-64(27-29-65)66-40-53-92-83(54-66)84-57-91-82(58-94(84)101-92)77-20-8-13-25-89(77)99(91)71-45-34-62(35-46-71)60-30-41-69(42-31-60)97-85-21-9-4-16-73(85)74-17-5-10-22-86(74)97/h1-58H
InChIKeyALOPMOBXIVFGIB-UHFFFAOYSA-N
MW1299.55 g/mol
LogP26.21
Rot. Bonds9

About 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole

12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 167193369) has the molecular formula C96H58N4O2 and a molecular weight of 1299.55 g/mol. Its IUPAC name is 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID167193369
Molecular FormulaC96H58N4O2
Molecular Weight1299.55 g/mol
Exact Mass1298.46
IUPAC Name12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5ccc(-c6ccc7oc8cc9c%10ccccc%10n(-c%10ccc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)cc%10)c9cc8c7c6)cc5)cc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c32)cc1
InChIInChI=1S/C96H58N4O2/c1-2-14-59(15-3-1)68-39-50-79-81-52-51-80-78-49-38-67(55-90(78)100(95(80)96(81)102-93(79)56-68)72-47-36-63(37-48-72)61-32-43-70(44-33-61)98-87-23-11-6-18-75(87)76-19-7-12-24-88(76)98)65-28-26-64(27-29-65)66-40-53-92-83(54-66)84-57-91-82(58-94(84)101-92)77-20-8-13-25-89(77)99(91)71-45-34-62(35-46-71)60-30-41-69(42-31-60)97-85-21-9-4-16-73(85)74-17-5-10-22-86(74)97/h1-58H
InChIKeyALOPMOBXIVFGIB-UHFFFAOYSA-N
XLogP26.21
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.55
LogP ≤ 526.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955
9-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163603085
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
6,17-bis(8-phenyldibenzofuran-2-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-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-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-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-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-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-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-6-yl)carbazole;9-phenyl-3-[17-(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-6-yl]carbazole
CID 158073977
12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
10-dibenzofuran-3-yl-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324824
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163611677
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole (CID 167193369) is 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc3c(c2)oc2c3ccc3c4ccc(-c5ccc(-c6ccc7oc8cc9c%10ccccc%10n(-c%10ccc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)cc%10)c9cc8c7c6)cc5)cc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c32)cc1.
What is the InChIKey of 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is ALOPMOBXIVFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H58N4O2/c1-2-14-59(15-3-1)68-39-50-79-81-52-51-80-78-49-38-67(55-90(78)100(95(80)96(81)102-93(79)56-68)72-47-36-63(37-48-72)61-32-43-70(44-33-61)98-87-23-11-6-18-75(87)76-19-7-12-24-88(76)98)65-28-26-64(27-29-65)66-40-53-92-83(54-66)84-57-91-82(58-94(84)101-92)77-20-8-13-25-89(77)99(91)71-45-34-62(35-46-71)60-30-41-69(42-31-60)97-85-21-9-4-16-73(85)74-17-5-10-22-86(74)97/h1-58H.
What are the key properties of 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole?
12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1299.55 g/mol, XLogP of 26.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 167193369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).