bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine

C159H120N6 — CID 157386600

IUPACbis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C57H48N2.2C51H36N2/c1-55(2,3)37-24-31-44-45-32-25-38(56(4,5)6)35-51(45)57(50(44)34-37)49-21-13-10-18-43(49)46-33-30-42(36-52(46)57)58(39-16-8-7-9-17-39)40-26-28-41(29-27-40)59-53-22-14-11-19-47(53)48-20-12-15-23-54(48)59;2*1-33-20-27-40-41-28-21-34(2)31-47(41)51(46(40)30-33)45-17-9-6-14-39(45)42-29-26-38(32-48(42)51)52(35-12-4-3-5-13-35)36-22-24-37(25-23-36)53-49-18-10-7-15-43(49)44-16-8-11-19-50(44)53/h7-36H,1-6H3;2*3-32H,1-2H3
InChIKeyBLMWLDLNCFAMEB-UHFFFAOYSA-N
MW2114.75 g/mol
LogP41.62
Rot. Bonds12

About bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine

bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 157386600) has the molecular formula C159H120N6 and a molecular weight of 2114.75 g/mol. Its IUPAC name is bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Namebis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID157386600
Molecular FormulaC159H120N6
Molecular Weight2114.75 g/mol
Exact Mass2112.96
IUPAC Namebis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C57H48N2.2C51H36N2/c1-55(2,3)37-24-31-44-45-32-25-38(56(4,5)6)35-51(45)57(50(44)34-37)49-21-13-10-18-43(49)46-33-30-42(36-52(46)57)58(39-16-8-7-9-17-39)40-26-28-41(29-27-40)59-53-22-14-11-19-47(53)48-20-12-15-23-54(48)59;2*1-33-20-27-40-41-28-21-34(2)31-47(41)51(46(40)30-33)45-17-9-6-14-39(45)42-29-26-38(32-48(42)51)52(35-12-4-3-5-13-35)36-22-24-37(25-23-36)53-49-18-10-7-15-43(49)44-16-8-11-19-50(44)53/h7-36H,1-6H3;2*3-32H,1-2H3
InChIKeyBLMWLDLNCFAMEB-UHFFFAOYSA-N
XLogP41.62
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002114.75
LogP ≤ 541.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)
CID 162201346
9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 171418886
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
N-(4-carbazol-9-ylphenyl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309232
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine
CID 156664796
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335

Frequently Asked Questions

What is the IUPAC name of bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 157386600) is bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc31)c1cc(C)ccc1-2.
What is the InChIKey of bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is BLMWLDLNCFAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2.2C51H36N2/c1-55(2,3)37-24-31-44-45-32-25-38(56(4,5)6)35-51(45)57(50(44)34-37)49-21-13-10-18-43(49)46-33-30-42(36-52(46)57)58(39-16-8-7-9-17-39)40-26-28-41(29-27-40)59-53-22-14-11-19-47(53)48-20-12-15-23-54(48)59;2*1-33-20-27-40-41-28-21-34(2)31-47(41)51(46(40)30-33)45-17-9-6-14-39(45)42-29-26-38(32-48(42)51)52(35-12-4-3-5-13-35)36-22-24-37(25-23-36)53-49-18-10-7-15-43(49)44-16-8-11-19-50(44)53/h7-36H,1-6H3;2*3-32H,1-2H3.
What are the key properties of bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2114.75 g/mol, XLogP of 41.62, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 157386600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).