3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole

C122H78N6S2 — CID 161117587

IUPAC3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc3)s2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)s2)cc1
InChIInChI=1S/C64H41N3S.C58H37N3S/c1-4-14-42(15-5-1)63-36-37-64(68-63)43-24-30-50(31-25-43)67-58-23-13-11-21-52(58)54-39-45(27-33-60(54)67)47-29-35-62-56(41-47)55-40-46(28-34-61(55)66(62)49-18-8-3-9-19-49)44-26-32-59-53(38-44)51-20-10-12-22-57(51)65(59)48-16-6-2-7-17-48;1-4-14-38(15-5-1)57-32-33-58(62-57)61-55-30-26-41(39-24-28-53-47(34-39)45-20-10-12-22-51(45)59(53)43-16-6-2-7-17-43)36-49(55)50-37-42(27-31-56(50)61)40-25-29-54-48(35-40)46-21-11-13-23-52(46)60(54)44-18-8-3-9-19-44/h1-41H;1-37H
InChIKeyUKNDBUPOBCKODW-UHFFFAOYSA-N
MW1692.14 g/mol
LogP33.75
Rot. Bonds13

About 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole

3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 161117587) has the molecular formula C122H78N6S2 and a molecular weight of 1692.14 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID161117587
Molecular FormulaC122H78N6S2
Molecular Weight1692.14 g/mol
Exact Mass1690.57
IUPAC Name3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc3)s2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)s2)cc1
InChIInChI=1S/C64H41N3S.C58H37N3S/c1-4-14-42(15-5-1)63-36-37-64(68-63)43-24-30-50(31-25-43)67-58-23-13-11-21-52(58)54-39-45(27-33-60(54)67)47-29-35-62-56(41-47)55-40-46(28-34-61(55)66(62)49-18-8-3-9-19-49)44-26-32-59-53(38-44)51-20-10-12-22-57(51)65(59)48-16-6-2-7-17-48;1-4-14-38(15-5-1)57-32-33-58(62-57)61-55-30-26-41(39-24-28-53-47(34-39)45-20-10-12-22-51(45)59(53)43-16-6-2-7-17-43)36-49(55)50-37-42(27-31-56(50)61)40-25-29-54-48(35-40)46-21-11-13-23-52(46)60(54)44-18-8-3-9-19-44/h1-41H;1-37H
InChIKeyUKNDBUPOBCKODW-UHFFFAOYSA-N
XLogP33.75
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001692.14
LogP ≤ 533.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]aniline
CID 71038551
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole (CID 161117587) is 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc3)s2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)s2)cc1.
What is the InChIKey of 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is UKNDBUPOBCKODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3S.C58H37N3S/c1-4-14-42(15-5-1)63-36-37-64(68-63)43-24-30-50(31-25-43)67-58-23-13-11-21-52(58)54-39-45(27-33-60(54)67)47-29-35-62-56(41-47)55-40-46(28-34-61(55)66(62)49-18-8-3-9-19-49)44-26-32-59-53(38-44)51-20-10-12-22-57(51)65(59)48-16-6-2-7-17-48;1-4-14-38(15-5-1)57-32-33-58(62-57)61-55-30-26-41(39-24-28-53-47(34-39)45-20-10-12-22-51(45)59(53)43-16-6-2-7-17-43)36-49(55)50-37-42(27-31-56(50)61)40-25-29-54-48(35-40)46-21-11-13-23-52(46)60(54)44-18-8-3-9-19-44/h1-41H;1-37H.
What are the key properties of 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole?
3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 1692.14 g/mol, XLogP of 33.75, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 161117587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).