9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole

C58H46N2 — CID 134440376

IUPAC9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc3c(c21)C3n1c2ccccc2c2ccccc21
InChIInChI=1S/C58H46N2/c1-56(2,3)34-23-26-37-38-27-24-35(57(4,5)6)32-47(38)58(46(37)31-34)48-33-36(59-49-19-11-7-15-40(49)41-16-8-12-20-50(41)59)25-28-39(48)44-29-30-45-53(54(44)58)55(45)60-51-21-13-9-17-42(51)43-18-10-14-22-52(43)60/h7-33,55H,1-6H3
InChIKeyPCZKQXAPAXNSMU-UHFFFAOYSA-N
MW771.02 g/mol
LogP14.78
Rot. Bonds2

About 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole

9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole (PubChem CID 134440376) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole.

Molecular Properties

Compound Name9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole
PubChem CID134440376
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC Name9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc3c(c21)C3n1c2ccccc2c2ccccc21
InChIInChI=1S/C58H46N2/c1-56(2,3)34-23-26-37-38-27-24-35(57(4,5)6)32-47(38)58(46(37)31-34)48-33-36(59-49-19-11-7-15-40(49)41-16-8-12-20-50(41)59)25-28-39(48)44-29-30-45-53(54(44)58)55(45)60-51-21-13-9-17-42(51)43-18-10-14-22-52(43)60/h7-33,55H,1-6H3
InChIKeyPCZKQXAPAXNSMU-UHFFFAOYSA-N
XLogP14.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.02
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole with MolForge

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Related Compounds

3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole
CID 138579773
7,18-ditert-butyl-3'-carbazol-9-ylspiro[21-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene-10,9'-fluorene]-14-one
CID 164757641
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
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
9-(6-carbazol-9-ylspiro[benzo[a]fluorene-11,9'-fluorene]-9-yl)carbazole
CID 166034125
CID 163750007
CID 163750007
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 167069581
N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 126738644

Frequently Asked Questions

What is the IUPAC name of 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole?
The IUPAC name of 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole (CID 134440376) is 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole.
What is the SMILES notation for 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole?
The canonical SMILES for 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc3c(c21)C3n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole?
The InChIKey is PCZKQXAPAXNSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-56(2,3)34-23-26-37-38-27-24-35(57(4,5)6)32-47(38)58(46(37)31-34)48-33-36(59-49-19-11-7-15-40(49)41-16-8-12-20-50(41)59)25-28-39(48)44-29-30-45-53(54(44)58)55(45)60-51-21-13-9-17-42(51)43-18-10-14-22-52(43)60/h7-33,55H,1-6H3.
What are the key properties of 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole?
9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole has a molecular weight of 771.02 g/mol, XLogP of 14.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,7-ditert-butyl-5'-carbazol-9-ylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,10(12),13-hexaene]-11'-yl)carbazole is sourced from PubChem (CID 134440376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).