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

C51H29N — CID 134528115

IUPAC7-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
SMILESc1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2ccc(-n3c5ccccc5c5c6ccccc6ccc53)cc21)c1ccccc1-4
InChIInChI=1S/C51H29N/c1-2-13-32-30(12-1)24-27-47-50(32)39-18-7-10-23-46(39)52(47)31-25-26-36-35-16-5-8-21-42(35)51(44(36)28-31)43-22-9-6-17-38(43)49-40-20-11-19-37-33-14-3-4-15-34(33)41(48(37)40)29-45(49)51/h1-29H
InChIKeyMPSSLQLJKZARNL-UHFFFAOYSA-N
MW655.80 g/mol
LogP13.08
Rot. Bonds1

About 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

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 (PubChem CID 134528115) has the molecular formula C51H29N and a molecular weight of 655.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID134528115
Molecular FormulaC51H29N
Molecular Weight655.80 g/mol
Exact Mass655.23
IUPAC Name7-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
SMILESc1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2ccc(-n3c5ccccc5c5c6ccccc6ccc53)cc21)c1ccccc1-4
InChIInChI=1S/C51H29N/c1-2-13-32-30(12-1)24-27-47-50(32)39-18-7-10-23-46(39)52(47)31-25-26-36-35-16-5-8-21-42(35)51(44(36)28-31)43-22-9-6-17-38(43)49-40-20-11-19-37-33-14-3-4-15-34(33)41(48(37)40)29-45(49)51/h1-29H
InChIKeyMPSSLQLJKZARNL-UHFFFAOYSA-N
XLogP13.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 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
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
7-(9-fluoranthen-2-ylcarbazol-3-yl)benzo[c]carbazole
CID 130295338
16'-phenanthren-2-ylspiro[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(18),14,16,19,21-undecaene]
CID 58390378
CID 134551803
CID 134551803
16'-phenanthren-1-ylspiro[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(18),14,16,19,21-undecaene]
CID 58390390
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
2,4-dinaphthalen-1-yl-6-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-yl-1,3,5-triazine
CID 134528161
9-(6-carbazol-9-ylspiro[benzo[a]fluorene-11,9'-fluorene]-9-yl)carbazole
CID 166034125
7'-(2-phenylnaphthalen-1-yl)spiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene]
CID 123549000
CID 134551695
CID 134551695

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2ccc(-n3c5ccccc5c5c6ccccc6ccc53)cc21)c1ccccc1-4.
What is the InChIKey of 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?
The InChIKey is MPSSLQLJKZARNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N/c1-2-13-32-30(12-1)24-27-47-50(32)39-18-7-10-23-46(39)52(47)31-25-26-36-35-16-5-8-21-42(35)51(44(36)28-31)43-22-9-6-17-38(43)49-40-20-11-19-37-33-14-3-4-15-34(33)41(48(37)40)29-45(49)51/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 655.80 g/mol, XLogP of 13.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134528115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).