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

C104H61N5O3 — CID 126632019

IUPAC3-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
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5ccc6nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)ccc98)cc7)nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)ccc98)cc7)c6c5)cc4)cc3)cc12
InChIInChI=1S/C104H61N5O3/c1-7-19-91-77(13-1)83-55-68(71-39-52-100-86(58-71)80-16-4-10-22-97(80)110-100)36-49-94(83)107(91)74-42-29-63(30-43-74)62-25-27-64(28-26-62)67-35-48-90-89(61-67)103(65-31-44-75(45-32-65)108-92-20-8-2-14-78(92)84-56-69(37-50-95(84)108)72-40-53-101-87(59-72)81-17-5-11-23-98(81)111-101)106-104(105-90)66-33-46-76(47-34-66)109-93-21-9-3-15-79(93)85-57-70(38-51-96(85)109)73-41-54-102-88(60-73)82-18-6-12-24-99(82)112-102/h1-61H
InChIKeyQDXPGDSZONFUJQ-UHFFFAOYSA-N
MW1428.66 g/mol
LogP28.29
Rot. Bonds10

About 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

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 (PubChem CID 126632019) has the molecular formula C104H61N5O3 and a molecular weight of 1428.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID126632019
Molecular FormulaC104H61N5O3
Molecular Weight1428.66 g/mol
Exact Mass1427.48
IUPAC Name3-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
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5ccc6nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)ccc98)cc7)nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)ccc98)cc7)c6c5)cc4)cc3)cc12
InChIInChI=1S/C104H61N5O3/c1-7-19-91-77(13-1)83-55-68(71-39-52-100-86(58-71)80-16-4-10-22-97(80)110-100)36-49-94(83)107(91)74-42-29-63(30-43-74)62-25-27-64(28-26-62)67-35-48-90-89(61-67)103(65-31-44-75(45-32-65)108-92-20-8-2-14-78(92)84-56-69(37-50-95(84)108)72-40-53-101-87(59-72)81-17-5-11-23-98(81)111-101)106-104(105-90)66-33-46-76(47-34-66)109-93-21-9-3-15-79(93)85-57-70(38-51-96(85)109)73-41-54-102-88(60-73)82-18-6-12-24-99(82)112-102/h1-61H
InChIKeyQDXPGDSZONFUJQ-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-[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
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
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
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
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
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
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-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 126632003
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5ccc6nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)ccc98)cc7)nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)ccc98)cc7)c6c5)cc4)cc3)cc12.
What is the InChIKey of 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?
The InChIKey is QDXPGDSZONFUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H61N5O3/c1-7-19-91-77(13-1)83-55-68(71-39-52-100-86(58-71)80-16-4-10-22-97(80)110-100)36-49-94(83)107(91)74-42-29-63(30-43-74)62-25-27-64(28-26-62)67-35-48-90-89(61-67)103(65-31-44-75(45-32-65)108-92-20-8-2-14-78(92)84-56-69(37-50-95(84)108)72-40-53-101-87(59-72)81-17-5-11-23-98(81)111-101)106-104(105-90)66-33-46-76(47-34-66)109-93-21-9-3-15-79(93)85-57-70(38-51-96(85)109)73-41-54-102-88(60-73)82-18-6-12-24-99(82)112-102/h1-61H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 126632019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).