6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]

C51H30N2 — CID 167126460

IUPAC6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccc3ccc4c(c23)c2c1cccc2n4-c1ccc(-n2c3ccccc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C51H30N2/c1-2-12-33-30-47-39(29-32(33)11-1)38-16-5-8-21-44(38)52(47)34-24-26-35(27-25-34)53-45-22-10-20-43-49(45)50-46(53)28-23-31-13-9-19-42(48(31)50)51(43)40-17-6-3-14-36(40)37-15-4-7-18-41(37)51/h1-30H
InChIKeyJKPHYKLTGWBOHE-UHFFFAOYSA-N
MW670.82 g/mol
LogP12.86
Rot. Bonds2

About 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]

6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] (PubChem CID 167126460) has the molecular formula C51H30N2 and a molecular weight of 670.82 g/mol. Its IUPAC name is 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene].

Molecular Properties

Compound Name6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
PubChem CID167126460
Molecular FormulaC51H30N2
Molecular Weight670.82 g/mol
Exact Mass670.24
IUPAC Name6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccc3ccc4c(c23)c2c1cccc2n4-c1ccc(-n2c3ccccc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C51H30N2/c1-2-12-33-30-47-39(29-32(33)11-1)38-16-5-8-21-44(38)52(47)34-24-26-35(27-25-34)53-45-22-10-20-43-49(45)50-46(53)28-23-31-13-9-19-42(48(31)50)51(43)40-17-6-3-14-36(40)37-15-4-7-18-41(37)51/h1-30H
InChIKeyJKPHYKLTGWBOHE-UHFFFAOYSA-N
XLogP12.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] with MolForge

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Related Compounds

CID 134551673
CID 134551673
6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668131
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 164732134
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
23-[4-(4-carbazol-9-ylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497902
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]
CID 145345825
6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668133
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
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?
The IUPAC name of 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] (CID 167126460) is 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene].
What is the SMILES notation for 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?
The canonical SMILES for 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2cccc3ccc4c(c23)c2c1cccc2n4-c1ccc(-n2c3ccccc3c3cc4ccccc4cc32)cc1.
What is the InChIKey of 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?
The InChIKey is JKPHYKLTGWBOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2/c1-2-12-33-30-47-39(29-32(33)11-1)38-16-5-8-21-44(38)52(47)34-24-26-35(27-25-34)53-45-22-10-20-43-49(45)50-46(53)28-23-31-13-9-19-42(48(31)50)51(43)40-17-6-3-14-36(40)37-15-4-7-18-41(37)51/h1-30H.
What are the key properties of 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?
6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] has a molecular weight of 670.82 g/mol, XLogP of 12.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] is sourced from PubChem (CID 167126460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).