3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole

C120H74N4 — CID 158661132

IUPAC3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-n7c8ccccc8c8ccccc87)ccc5-6)ccc43)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C61H38N2.C59H36N2/c1-2-14-39(15-3-1)40-26-30-43(31-27-40)62-59-25-13-8-20-51(59)52-36-41(29-35-60(52)62)42-28-33-47-48-34-32-44(63-57-23-11-6-18-49(57)50-19-7-12-24-58(50)63)38-56(48)61(55(47)37-42)53-21-9-4-16-45(53)46-17-5-10-22-54(46)61;1-2-16-41-37(14-1)15-13-27-54(41)61-57-26-12-7-21-48(57)49-34-38(29-33-58(49)61)39-28-31-44-45-32-30-40(60-55-24-10-5-19-46(55)47-20-6-11-25-56(47)60)36-53(45)59(52(44)35-39)50-22-8-3-17-42(50)43-18-4-9-23-51(43)59/h1-38H;1-36H
InChIKeyICTUGUZSDYMONA-UHFFFAOYSA-N
MW1571.94 g/mol
LogP30.60
Rot. Bonds7

About 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole

3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 158661132) has the molecular formula C120H74N4 and a molecular weight of 1571.94 g/mol. Its IUPAC name is 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
PubChem CID158661132
Molecular FormulaC120H74N4
Molecular Weight1571.94 g/mol
Exact Mass1570.59
IUPAC Name3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-n7c8ccccc8c8ccccc87)ccc5-6)ccc43)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C61H38N2.C59H36N2/c1-2-14-39(15-3-1)40-26-30-43(31-27-40)62-59-25-13-8-20-51(59)52-36-41(29-35-60(52)62)42-28-33-47-48-34-32-44(63-57-23-11-6-18-49(57)50-19-7-12-24-58(50)63)38-56(48)61(55(47)37-42)53-21-9-4-16-45(53)46-17-5-10-22-54(46)61;1-2-16-41-37(14-1)15-13-27-54(41)61-57-26-12-7-21-48(57)49-34-38(29-33-58(49)61)39-28-31-44-45-32-30-40(60-55-24-10-5-19-46(55)47-20-6-11-25-56(47)60)36-53(45)59(52(44)35-39)50-22-8-3-17-42(50)43-18-4-9-23-51(43)59/h1-38H;1-36H
InChIKeyICTUGUZSDYMONA-UHFFFAOYSA-N
XLogP30.60
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001571.94
LogP ≤ 530.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole with MolForge

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Related Compounds

9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236693
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160921499

Frequently Asked Questions

What is the IUPAC name of 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole (CID 158661132) is 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-n7c8ccccc8c8ccccc87)ccc5-6)ccc43)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is ICTUGUZSDYMONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2.C59H36N2/c1-2-14-39(15-3-1)40-26-30-43(31-27-40)62-59-25-13-8-20-51(59)52-36-41(29-35-60(52)62)42-28-33-47-48-34-32-44(63-57-23-11-6-18-49(57)50-19-7-12-24-58(50)63)38-56(48)61(55(47)37-42)53-21-9-4-16-45(53)46-17-5-10-22-54(46)61;1-2-16-41-37(14-1)15-13-27-54(41)61-57-26-12-7-21-48(57)49-34-38(29-33-58(49)61)39-28-31-44-45-32-30-40(60-55-24-10-5-19-46(55)47-20-6-11-25-56(47)60)36-53(45)59(52(44)35-39)50-22-8-3-17-42(50)43-18-4-9-23-51(43)59/h1-38H;1-36H.
What are the key properties of 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole?
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 1571.94 g/mol, XLogP of 30.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 158661132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).