9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole

C53H31N — CID 134528204

IUPAC9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole
SMILESc1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2cccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)c21)c1ccccc1-4
InChIInChI=1S/C53H31N/c1-2-14-36-35(13-1)40-20-12-22-43-50(40)44(36)31-47-51(43)42-18-4-8-24-46(42)53(47)45-23-7-3-15-37(45)41-21-11-19-34(52(41)53)32-27-29-33(30-28-32)54-48-25-9-5-16-38(48)39-17-6-10-26-49(39)54/h1-31H
InChIKeyUEPDTRKDIOTCEZ-UHFFFAOYSA-N
MW681.84 g/mol
LogP13.59
Rot. Bonds2

About 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole

9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole (PubChem CID 134528204) has the molecular formula C53H31N and a molecular weight of 681.84 g/mol. Its IUPAC name is 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole
PubChem CID134528204
Molecular FormulaC53H31N
Molecular Weight681.84 g/mol
Exact Mass681.25
IUPAC Name9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole
SMILESc1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2cccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)c21)c1ccccc1-4
InChIInChI=1S/C53H31N/c1-2-14-36-35(13-1)40-20-12-22-43-50(40)44(36)31-47-51(43)42-18-4-8-24-46(42)53(47)45-23-7-3-15-37(45)41-21-11-19-34(52(41)53)32-27-29-33(30-28-32)54-48-25-9-5-16-38(48)39-17-6-10-26-49(39)54/h1-31H
InChIKeyUEPDTRKDIOTCEZ-UHFFFAOYSA-N
XLogP13.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole with MolForge

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Related Compounds

9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylphenyl)carbazole
CID 134528123
spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390351
1'-(4-carbazol-9-ylphenyl)spiro[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]
CID 135293779
7-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylbenzo[c]carbazole
CID 134528115
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 159107567
20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580544
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-amine
CID 134528163
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine
CID 171418739
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 71249287
4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline
CID 137468935

Frequently Asked Questions

What is the IUPAC name of 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole?
The IUPAC name of 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole (CID 134528204) is 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole.
What is the SMILES notation for 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole?
The canonical SMILES for 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole is c1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2cccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)c21)c1ccccc1-4.
What is the InChIKey of 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole?
The InChIKey is UEPDTRKDIOTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N/c1-2-14-36-35(13-1)40-20-12-22-43-50(40)44(36)31-47-51(43)42-18-4-8-24-46(42)53(47)45-23-7-3-15-37(45)41-21-11-19-34(52(41)53)32-27-29-33(30-28-32)54-48-25-9-5-16-38(48)39-17-6-10-26-49(39)54/h1-31H.
What are the key properties of 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole?
9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole has a molecular weight of 681.84 g/mol, XLogP of 13.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole is sourced from PubChem (CID 134528204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).