9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole

C216H168N8O4S2 — CID 159834519

IUPAC9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)Cc1cc3ccc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)cc3cc1C2.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc3c(cc2c1)Cc1ccc(-c2ccc(S(=O)(=O)c4ccccc4)cc2)cc1C3.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)Cc2cc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4cc2C3)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3cc4c(cc3c2)Cc2ccc(-c3cc(-c5ccccc5)nc(-c5ccccc5)n3)cc2C4)cc1
InChIInChI=1S/2C58H39N3.2C50H45NO2S/c2*1-5-13-38(14-6-1)44-24-27-56-52(35-44)53-36-45(39-15-7-2-8-16-39)25-28-57(53)61(56)51-26-23-43-30-48-32-47-31-46(22-21-42(47)29-49(48)33-50(43)34-51)55-37-54(40-17-9-3-10-18-40)59-58(60-55)41-19-11-4-12-20-41;2*1-49(2,3)40-17-22-47-45(30-40)46-31-41(50(4,5)6)18-23-48(46)51(47)42-19-14-35-26-37-27-36-24-33(12-13-34(36)25-38(37)28-39(35)29-42)32-15-20-44(21-16-32)54(52,53)43-10-8-7-9-11-43/h1-28,30-31,33-37H,29,32H2;1-29,31-32,34-37H,30,33H2;7-24,26,28-31H,25,27H2,1-6H3;7-25,27,29-31H,26,28H2,1-6H3
InChIKeyNNWSIOMIHQKWJJ-UHFFFAOYSA-N
MW3003.91 g/mol
LogP54.17
Rot. Bonds20

About 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole

9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole (PubChem CID 159834519) has the molecular formula C216H168N8O4S2 and a molecular weight of 3003.91 g/mol. Its IUPAC name is 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
PubChem CID159834519
Molecular FormulaC216H168N8O4S2
Molecular Weight3003.91 g/mol
Exact Mass3001.26
IUPAC Name9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)Cc1cc3ccc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)cc3cc1C2.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc3c(cc2c1)Cc1ccc(-c2ccc(S(=O)(=O)c4ccccc4)cc2)cc1C3.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)Cc2cc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4cc2C3)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3cc4c(cc3c2)Cc2ccc(-c3cc(-c5ccccc5)nc(-c5ccccc5)n3)cc2C4)cc1
InChIInChI=1S/2C58H39N3.2C50H45NO2S/c2*1-5-13-38(14-6-1)44-24-27-56-52(35-44)53-36-45(39-15-7-2-8-16-39)25-28-57(53)61(56)51-26-23-43-30-48-32-47-31-46(22-21-42(47)29-49(48)33-50(43)34-51)55-37-54(40-17-9-3-10-18-40)59-58(60-55)41-19-11-4-12-20-41;2*1-49(2,3)40-17-22-47-45(30-40)46-31-41(50(4,5)6)18-23-48(46)51(47)42-19-14-35-26-37-27-36-24-33(12-13-34(36)25-38(37)28-39(35)29-42)32-15-20-44(21-16-32)54(52,53)43-10-8-7-9-11-43/h1-28,30-31,33-37H,29,32H2;1-29,31-32,34-37H,30,33H2;7-24,26,28-31H,25,27H2,1-6H3;7-25,27,29-31H,26,28H2,1-6H3
InChIKeyNNWSIOMIHQKWJJ-UHFFFAOYSA-N
XLogP54.17
TPSA139.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003003.91
LogP ≤ 554.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole
CID 139335362
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
CID 139335220
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335308
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
CID 139335327
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
3,6-bis(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 159534623
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazole;9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 159940883
3,6-di(carbazol-9-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335356
9-[4-[6-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-phenylpyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 122677057
9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
CID 139329534
9-[2-(4-tert-butylphenyl)-6-phenyl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,6-diphenylcarbazole
CID 146281192
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465

Frequently Asked Questions

What is the IUPAC name of 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole (CID 159834519) is 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)Cc1cc3ccc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)cc3cc1C2.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2cc3c(cc2c1)Cc1ccc(-c2ccc(S(=O)(=O)c4ccccc4)cc2)cc1C3.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)Cc2cc4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4cc2C3)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3cc4c(cc3c2)Cc2ccc(-c3cc(-c5ccccc5)nc(-c5ccccc5)n3)cc2C4)cc1.
What is the InChIKey of 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole?
The InChIKey is NNWSIOMIHQKWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H39N3.2C50H45NO2S/c2*1-5-13-38(14-6-1)44-24-27-56-52(35-44)53-36-45(39-15-7-2-8-16-39)25-28-57(53)61(56)51-26-23-43-30-48-32-47-31-46(22-21-42(47)29-49(48)33-50(43)34-51)55-37-54(40-17-9-3-10-18-40)59-58(60-55)41-19-11-4-12-20-41;2*1-49(2,3)40-17-22-47-45(30-40)46-31-41(50(4,5)6)18-23-48(46)51(47)42-19-14-35-26-37-27-36-24-33(12-13-34(36)25-38(37)28-39(35)29-42)32-15-20-44(21-16-32)54(52,53)43-10-8-7-9-11-43/h1-28,30-31,33-37H,29,32H2;1-29,31-32,34-37H,30,33H2;7-24,26,28-31H,25,27H2,1-6H3;7-25,27,29-31H,26,28H2,1-6H3.
What are the key properties of 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole?
9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole has a molecular weight of 3003.91 g/mol, XLogP of 54.17, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[4-(benzenesulfonyl)phenyl]-5,12-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-[4-(benzenesulfonyl)phenyl]-6,11-dihydrotetracen-2-yl]-3,6-ditert-butylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole;9-[8-(2,6-diphenylpyrimidin-4-yl)-6,11-dihydrotetracen-2-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 159834519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).