tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole

C142H101N11Si — CID 159737894

IUPACtert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole
SMILESCC(C)(C)[Si](C)(C)c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5)n4)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C50H42N4Si.C48H30N4.C44H29N3/c1-50(2,3)55(4,5)37-27-23-33(24-28-37)48-40-19-9-12-20-43(40)51-49(52-48)54-45-22-14-11-18-39(45)42-32-35(26-30-47(42)54)34-25-29-46-41(31-34)38-17-10-13-21-44(38)53(46)36-15-7-6-8-16-36;1-2-15-34(16-3-1)51-43-23-10-7-18-36(43)40-29-32(25-27-45(40)51)33-26-28-46-41(30-33)37-19-8-11-24-44(37)52(46)48-49-42-22-9-6-20-39(42)47(50-48)38-21-12-14-31-13-4-5-17-35(31)38;1-2-9-30(10-3-1)31-17-19-32(20-18-31)35-12-8-13-36(29-35)41-27-28-45-44(46-41)34-21-24-37(25-22-34)47-42-16-7-6-15-39(42)40-26-23-33-11-4-5-14-38(33)43(40)47/h6-32H,1-5H3;1-30H;1-29H
InChIKeyNCBKWZUVDPCKRV-UHFFFAOYSA-N
MW1989.53 g/mol
LogP36.58
Rot. Bonds14

About tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole

tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole (PubChem CID 159737894) has the molecular formula C142H101N11Si and a molecular weight of 1989.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole
PubChem CID159737894
Molecular FormulaC142H101N11Si
Molecular Weight1989.53 g/mol
Exact Mass1987.80
IUPAC Nametert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole
SMILESCC(C)(C)[Si](C)(C)c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5)n4)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C50H42N4Si.C48H30N4.C44H29N3/c1-50(2,3)55(4,5)37-27-23-33(24-28-37)48-40-19-9-12-20-43(40)51-49(52-48)54-45-22-14-11-18-39(45)42-32-35(26-30-47(42)54)34-25-29-46-41(31-34)38-17-10-13-21-44(38)53(46)36-15-7-6-8-16-36;1-2-15-34(16-3-1)51-43-23-10-7-18-36(43)40-29-32(25-27-45(40)51)33-26-28-46-41(30-33)37-19-8-11-24-44(37)52(46)48-49-42-22-9-6-20-39(42)47(50-48)38-21-12-14-31-13-4-5-17-35(31)38;1-2-9-30(10-3-1)31-17-19-32(20-18-31)35-12-8-13-36(29-35)41-27-28-45-44(46-41)34-21-24-37(25-22-34)47-42-16-7-6-15-39(42)40-26-23-33-11-4-5-14-38(33)43(40)47/h6-32H,1-5H3;1-30H;1-29H
InChIKeyNCBKWZUVDPCKRV-UHFFFAOYSA-N
XLogP36.58
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001989.53
LogP ≤ 536.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole with MolForge

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Related Compounds

5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182893
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 161306805
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;10-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 163803963
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159271257
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
10-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 161241392
2,5-bis[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole;2,5-bis[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-2-yl]-1,3,4-thiadiazole;2,5-bis[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole;2,5-bis[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-1,3,4-thiadiazole
CID 162140636

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole?
The IUPAC name of tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole (CID 159737894) is tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole.
What is the SMILES notation for tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole?
The canonical SMILES for tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole is CC(C)(C)[Si](C)(C)c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5)n4)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole?
The InChIKey is NCBKWZUVDPCKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4Si.C48H30N4.C44H29N3/c1-50(2,3)55(4,5)37-27-23-33(24-28-37)48-40-19-9-12-20-43(40)51-49(52-48)54-45-22-14-11-18-39(45)42-32-35(26-30-47(42)54)34-25-29-46-41(31-34)38-17-10-13-21-44(38)53(46)36-15-7-6-8-16-36;1-2-15-34(16-3-1)51-43-23-10-7-18-36(43)40-29-32(25-27-45(40)51)33-26-28-46-41(30-33)37-19-8-11-24-44(37)52(46)48-49-42-22-9-6-20-39(42)47(50-48)38-21-12-14-31-13-4-5-17-35(31)38;1-2-9-30(10-3-1)31-17-19-32(20-18-31)35-12-8-13-36(29-35)41-27-28-45-44(46-41)34-21-24-37(25-22-34)47-42-16-7-6-15-39(42)40-26-23-33-11-4-5-14-38(33)43(40)47/h6-32H,1-5H3;1-30H;1-29H.
What are the key properties of tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole?
tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole has a molecular weight of 1989.53 g/mol, XLogP of 36.58, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]silane;3-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;11-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]benzo[a]carbazole is sourced from PubChem (CID 159737894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).