1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole

C185H122N10 — CID 160929047

IUPAC1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2n3-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(C2(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H43N3.C61H39N3.C57H40N4/c1-3-19-44(20-4-1)45-35-40-64-56(41-45)57-42-49(68-60-31-15-9-25-52(60)53-26-10-16-32-61(53)68)43-65(70-62-33-17-11-27-54(62)55-28-12-18-34-63(55)70)66(57)69(64)48-38-36-47(37-39-48)67(46-21-5-2-6-22-46)58-29-13-7-23-50(58)51-24-8-14-30-59(51)67;1-2-18-40(19-3-1)61(52-27-11-4-20-44(52)45-21-5-12-28-53(45)61)41-34-36-42(37-35-41)63-56-31-15-10-26-50(56)51-38-43(62-54-29-13-6-22-46(54)47-23-7-14-30-55(47)62)39-59(60(51)63)64-57-32-16-8-24-48(57)49-25-9-17-33-58(49)64;1-35-20-27-53-45(30-35)46-31-36(2)21-28-54(46)58(53)38-23-25-39(26-24-38)60-55-29-22-37(3)32-47(55)48-33-40(59-49-16-8-4-12-41(49)42-13-5-9-17-50(42)59)34-56(57(48)60)61-51-18-10-6-14-43(51)44-15-7-11-19-52(44)61/h1-43H;1-39H;4-34H,1-3H3
InChIKeySTACNUBFPWPVCH-UHFFFAOYSA-N
MW2485.08 g/mol
LogP47.35
Rot. Bonds15

About 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole

1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole (PubChem CID 160929047) has the molecular formula C185H122N10 and a molecular weight of 2485.08 g/mol. Its IUPAC name is 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole
PubChem CID160929047
Molecular FormulaC185H122N10
Molecular Weight2485.08 g/mol
Exact Mass2482.99
IUPAC Name1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2n3-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(C2(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c54)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H43N3.C61H39N3.C57H40N4/c1-3-19-44(20-4-1)45-35-40-64-56(41-45)57-42-49(68-60-31-15-9-25-52(60)53-26-10-16-32-61(53)68)43-65(70-62-33-17-11-27-54(62)55-28-12-18-34-63(55)70)66(57)69(64)48-38-36-47(37-39-48)67(46-21-5-2-6-22-46)58-29-13-7-23-50(58)51-24-8-14-30-59(51)67;1-2-18-40(19-3-1)61(52-27-11-4-20-44(52)45-21-5-12-28-53(45)61)41-34-36-42(37-35-41)63-56-31-15-10-26-50(56)51-38-43(62-54-29-13-6-22-46(54)47-23-7-14-30-55(47)62)39-59(60(51)63)64-57-32-16-8-24-48(57)49-25-9-17-33-58(49)64;1-35-20-27-53-45(30-35)46-31-36(2)21-28-54(46)58(53)38-23-25-39(26-24-38)60-55-29-22-37(3)32-47(55)48-33-40(59-49-16-8-4-12-41(49)42-13-5-9-17-50(42)59)34-56(57(48)60)61-51-18-10-6-14-43(51)44-15-7-11-19-52(44)61/h1-43H;1-39H;4-34H,1-3H3
InChIKeySTACNUBFPWPVCH-UHFFFAOYSA-N
XLogP47.35
TPSA49.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms195
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002485.08
LogP ≤ 547.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole?
The IUPAC name of 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole (CID 160929047) is 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole.
What is the SMILES notation for 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole?
The canonical SMILES for 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2n3-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(C2(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c54)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole?
The InChIKey is STACNUBFPWPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3.C61H39N3.C57H40N4/c1-3-19-44(20-4-1)45-35-40-64-56(41-45)57-42-49(68-60-31-15-9-25-52(60)53-26-10-16-32-61(53)68)43-65(70-62-33-17-11-27-54(62)55-28-12-18-34-63(55)70)66(57)69(64)48-38-36-47(37-39-48)67(46-21-5-2-6-22-46)58-29-13-7-23-50(58)51-24-8-14-30-59(51)67;1-2-18-40(19-3-1)61(52-27-11-4-20-44(52)45-21-5-12-28-53(45)61)41-34-36-42(37-35-41)63-56-31-15-10-26-50(56)51-38-43(62-54-29-13-6-22-46(54)47-23-7-14-30-55(47)62)39-59(60(51)63)64-57-32-16-8-24-48(57)49-25-9-17-33-58(49)64;1-35-20-27-53-45(30-35)46-31-36(2)21-28-54(46)58(53)38-23-25-39(26-24-38)60-55-29-22-37(3)32-47(55)48-33-40(59-49-16-8-4-12-41(49)42-13-5-9-17-50(42)59)34-56(57(48)60)61-51-18-10-6-14-43(51)44-15-7-11-19-52(44)61/h1-43H;1-39H;4-34H,1-3H3.
What are the key properties of 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole?
1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole has a molecular weight of 2485.08 g/mol, XLogP of 47.35, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole is sourced from PubChem (CID 160929047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).