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

C104H61N5O3 — CID 126631899

IUPAC2-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
SMILESc1ccc2c(c1)oc1cc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7ccc8nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)oc%12ccccc%12%13)cc%11%10)cc9)nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)oc%12ccccc%12%13)cc%11%10)cc9)c8c7)cc6)cc5)c4c3)ccc12
InChIInChI=1S/C104H61N5O3/c1-7-19-91-77(13-1)80-48-35-68(71-38-51-86-83-16-4-10-22-97(83)110-100(86)59-71)56-94(80)107(91)74-42-29-63(30-43-74)62-25-27-64(28-26-62)67-41-54-90-89(55-67)103(65-31-44-75(45-32-65)108-92-20-8-2-14-78(92)81-49-36-69(57-95(81)108)72-39-52-87-84-17-5-11-23-98(84)111-101(87)60-72)106-104(105-90)66-33-46-76(47-34-66)109-93-21-9-3-15-79(93)82-50-37-70(58-96(82)109)73-40-53-88-85-18-6-12-24-99(85)112-102(88)61-73/h1-61H
InChIKeyVQARKYBEBHBVTR-UHFFFAOYSA-N
MW1428.66 g/mol
LogP28.29
Rot. Bonds10

About 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

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 (PubChem CID 126631899) has the molecular formula C104H61N5O3 and a molecular weight of 1428.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID126631899
Molecular FormulaC104H61N5O3
Molecular Weight1428.66 g/mol
Exact Mass1427.48
IUPAC Name2-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
SMILESc1ccc2c(c1)oc1cc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7ccc8nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)oc%12ccccc%12%13)cc%11%10)cc9)nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)oc%12ccccc%12%13)cc%11%10)cc9)c8c7)cc6)cc5)c4c3)ccc12
InChIInChI=1S/C104H61N5O3/c1-7-19-91-77(13-1)80-48-35-68(71-38-51-86-83-16-4-10-22-97(83)110-100(86)59-71)56-94(80)107(91)74-42-29-63(30-43-74)62-25-27-64(28-26-62)67-41-54-90-89(55-67)103(65-31-44-75(45-32-65)108-92-20-8-2-14-78(92)81-49-36-69(57-95(81)108)72-39-52-87-84-17-5-11-23-98(84)111-101(87)60-72)106-104(105-90)66-33-46-76(47-34-66)109-93-21-9-3-15-79(93)82-50-37-70(58-96(82)109)73-40-53-88-85-18-6-12-24-99(85)112-102(88)61-73/h1-61H
InChIKeyVQARKYBEBHBVTR-UHFFFAOYSA-N
XLogP28.29
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001428.66
LogP ≤ 528.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[6-[4-[6-(2-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-2-yl]-6-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]quinazolin-2-yl]naphthalen-2-yl]carbazole
CID 126631880
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
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
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]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631913
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
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
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
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 154602336
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
14-[4-[2,4-bis[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]quinazolin-6-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126630994
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)oc1cc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7ccc8nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)oc%12ccccc%12%13)cc%11%10)cc9)nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)oc%12ccccc%12%13)cc%11%10)cc9)c8c7)cc6)cc5)c4c3)ccc12.
What is the InChIKey of 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?
The InChIKey is VQARKYBEBHBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H61N5O3/c1-7-19-91-77(13-1)80-48-35-68(71-38-51-86-83-16-4-10-22-97(83)110-100(86)59-71)56-94(80)107(91)74-42-29-63(30-43-74)62-25-27-64(28-26-62)67-41-54-90-89(55-67)103(65-31-44-75(45-32-65)108-92-20-8-2-14-78(92)81-49-36-69(57-95(81)108)72-39-52-87-84-17-5-11-23-98(84)111-101(87)60-72)106-104(105-90)66-33-46-76(47-34-66)109-93-21-9-3-15-79(93)82-50-37-70(58-96(82)109)73-40-53-88-85-18-6-12-24-99(85)112-102(88)61-73/h1-61H.
What are the key properties of 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?
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 has a molecular weight of 1428.66 g/mol, XLogP of 28.29, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126631899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).