1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole

C61H39N3 — CID 155465753

IUPAC1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c7c(ccc6c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)cc4)c32)cc1
InChIInChI=1S/C61H39N3/c1-4-17-44(18-5-1)61(45-19-6-2-7-20-45)52-27-12-10-24-50(52)57-47-37-35-42(39-43(47)36-38-53(57)61)40-31-33-41(34-32-40)58-59(63-55-29-14-13-28-54(55)62-58)51-26-16-25-49-48-23-11-15-30-56(48)64(60(49)51)46-21-8-3-9-22-46/h1-39H
InChIKeyFCFLCXDCIVRUDL-UHFFFAOYSA-N
MW814.00 g/mol
LogP15.24
Rot. Bonds6

About 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole

1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole (PubChem CID 155465753) has the molecular formula C61H39N3 and a molecular weight of 814.00 g/mol. Its IUPAC name is 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole
PubChem CID155465753
Molecular FormulaC61H39N3
Molecular Weight814.00 g/mol
Exact Mass813.31
IUPAC Name1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c7c(ccc6c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)cc4)c32)cc1
InChIInChI=1S/C61H39N3/c1-4-17-44(18-5-1)61(45-19-6-2-7-20-45)52-27-12-10-24-50(52)57-47-37-35-42(39-43(47)36-38-53(57)61)40-31-33-41(34-32-40)58-59(63-55-29-14-13-28-54(55)62-58)51-26-16-25-49-48-23-11-15-30-56(48)64(60(49)51)46-21-8-3-9-22-46/h1-39H
InChIKeyFCFLCXDCIVRUDL-UHFFFAOYSA-N
XLogP15.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500
21-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,9-diphenyl-20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124167
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
6-[4-[3-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylfluoren-9-yl]phenyl]-2-[10-(9,9-diphenylfluoren-3-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155335154
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
N-(7,7-diphenylbenzo[c]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 146364307
14-[4-(4-carbazol-9-ylphenyl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-[4-(3,6-diphenylcarbazol-9-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
CID 158277667
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
[4-[2-[1-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588964
3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
CID 166034115
12-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 176780548

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole?
The IUPAC name of 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole (CID 155465753) is 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c7c(ccc6c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)cc4)c32)cc1.
What is the InChIKey of 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole?
The InChIKey is FCFLCXDCIVRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3/c1-4-17-44(18-5-1)61(45-19-6-2-7-20-45)52-27-12-10-24-50(52)57-47-37-35-42(39-43(47)36-38-53(57)61)40-31-33-41(34-32-40)58-59(63-55-29-14-13-28-54(55)62-58)51-26-16-25-49-48-23-11-15-30-56(48)64(60(49)51)46-21-8-3-9-22-46/h1-39H.
What are the key properties of 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole?
1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole has a molecular weight of 814.00 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 155465753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).