11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

C80H45N5O3 — CID 126630887

IUPAC11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)c3cc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)ccc3n2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/C80H45N5O3/c1-7-22-67-53(16-1)59-43-76-62(56-19-4-10-25-73(56)86-76)40-70(59)83(67)50-33-28-46(29-34-50)48-32-37-66-65(39-48)79(47-30-35-51(36-31-47)84-68-23-8-2-17-54(68)60-44-77-63(41-71(60)84)57-20-5-11-26-74(57)87-77)82-80(81-66)49-14-13-15-52(38-49)85-69-24-9-3-18-55(69)61-45-78-64(42-72(61)85)58-21-6-12-27-75(58)88-78/h1-45H
InChIKeyNUGHYRSFRTVSBB-UHFFFAOYSA-N
MW1124.27 g/mol
LogP21.62
Rot. Bonds6

About 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 126630887) has the molecular formula C80H45N5O3 and a molecular weight of 1124.27 g/mol. Its IUPAC name is 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID126630887
Molecular FormulaC80H45N5O3
Molecular Weight1124.27 g/mol
Exact Mass1123.35
IUPAC Name11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)c3cc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)ccc3n2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/C80H45N5O3/c1-7-22-67-53(16-1)59-43-76-62(56-19-4-10-25-73(56)86-76)40-70(59)83(67)50-33-28-46(29-34-50)48-32-37-66-65(39-48)79(47-30-35-51(36-31-47)84-68-23-8-2-17-54(68)60-44-77-63(41-71(60)84)57-20-5-11-26-74(57)87-77)82-80(81-66)49-14-13-15-52(38-49)85-69-24-9-3-18-55(69)61-45-78-64(42-72(61)85)58-21-6-12-27-75(58)88-78/h1-45H
InChIKeyNUGHYRSFRTVSBB-UHFFFAOYSA-N
XLogP21.62
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.27
LogP ≤ 521.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

11-[3-[4-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630945
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126631957
7-[4-[2,6-bis[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-[3-[2,4-bis[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 159872734
11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126580313
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126632019
9-[4-[2,4-bis[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]-3-dibenzofuran-3-ylcarbazole
CID 126631950
2-dibenzofuran-3-yl-9-[4-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126631899
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
2-dibenzofuran-3-yl-9-[3-[4-[6-(2-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-2-yl]-6-[3-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126631881
3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
CID 129190405
2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163556848
9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 160941783

Frequently Asked Questions

What is the IUPAC name of 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (CID 126630887) is 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is c1cc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)c3cc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)ccc3n2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.
What is the InChIKey of 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is NUGHYRSFRTVSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H45N5O3/c1-7-22-67-53(16-1)59-43-76-62(56-19-4-10-25-73(56)86-76)40-70(59)83(67)50-33-28-46(29-34-50)48-32-37-66-65(39-48)79(47-30-35-51(36-31-47)84-68-23-8-2-17-54(68)60-44-77-63(41-71(60)84)57-20-5-11-26-74(57)87-77)82-80(81-66)49-14-13-15-52(38-49)85-69-24-9-3-18-55(69)61-45-78-64(42-72(61)85)58-21-6-12-27-75(58)88-78/h1-45H.
What are the key properties of 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1124.27 g/mol, XLogP of 21.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 126630887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).