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

C104H61N5O3 — CID 126631957

IUPAC3-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
SMILESc1cc(-c2ccc3nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)c4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)cc4)c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c1
InChIInChI=1S/C104H61N5O3/c1-7-25-91-77(19-1)86-55-67(70-37-46-83-80-22-4-10-28-97(80)110-100(83)59-70)41-50-94(86)107(91)74-44-35-63(36-45-74)62-31-33-64(34-32-62)103-89-58-66(65-15-13-17-75(53-65)108-92-26-8-2-20-78(92)87-56-68(42-51-95(87)108)71-38-47-84-81-23-5-11-29-98(81)111-101(84)60-71)40-49-90(89)105-104(106-103)73-16-14-18-76(54-73)109-93-27-9-3-21-79(93)88-57-69(43-52-96(88)109)72-39-48-85-82-24-6-12-30-99(82)112-102(85)61-72/h1-61H
InChIKeySRJRRXDXXFPFQQ-UHFFFAOYSA-N
MW1428.66 g/mol
LogP28.29
Rot. Bonds10

About 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

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 (PubChem CID 126631957) has the molecular formula C104H61N5O3 and a molecular weight of 1428.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID126631957
Molecular FormulaC104H61N5O3
Molecular Weight1428.66 g/mol
Exact Mass1427.48
IUPAC Name3-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
SMILESc1cc(-c2ccc3nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)c4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)cc4)c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c1
InChIInChI=1S/C104H61N5O3/c1-7-25-91-77(19-1)86-55-67(70-37-46-83-80-22-4-10-28-97(80)110-100(83)59-70)41-50-94(86)107(91)74-44-35-63(36-45-74)62-31-33-64(34-32-62)103-89-58-66(65-15-13-17-75(53-65)108-92-26-8-2-20-78(92)87-56-68(42-51-95(87)108)71-38-47-84-81-23-5-11-29-98(81)111-101(84)60-71)40-49-90(89)105-104(106-103)73-16-14-18-76(54-73)109-93-27-9-3-21-79(93)88-57-69(43-52-96(88)109)72-39-48-85-82-24-6-12-30-99(82)112-102(85)61-72/h1-61H
InChIKeySRJRRXDXXFPFQQ-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
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
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
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
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-[2,6-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-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631973
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
12-[3-[6-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126631023
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)c4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)oc8ccccc89)ccc76)cc5)cc4)c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is SRJRRXDXXFPFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H61N5O3/c1-7-25-91-77(19-1)86-55-67(70-37-46-83-80-22-4-10-28-97(80)110-100(83)59-70)41-50-94(86)107(91)74-44-35-63(36-45-74)62-31-33-64(34-32-62)103-89-58-66(65-15-13-17-75(53-65)108-92-26-8-2-20-78(92)87-56-68(42-51-95(87)108)71-38-47-84-81-23-5-11-29-98(81)111-101(84)60-71)40-49-90(89)105-104(106-103)73-16-14-18-76(54-73)109-93-27-9-3-21-79(93)88-57-69(43-52-96(88)109)72-39-48-85-82-24-6-12-30-99(82)112-102(85)61-72/h1-61H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 126631957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).