11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

C46H31N — CID 123926035

IUPAC11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc21
InChIInChI=1S/C46H31N/c1-45(2)37-18-8-3-13-29(37)33-24-23-28(27-41(33)45)47-42-22-12-7-17-34(42)36-26-25-35-32-16-6-11-21-40(32)46(43(35)44(36)47)38-19-9-4-14-30(38)31-15-5-10-20-39(31)46/h3-27H,1-2H3
InChIKeyRYYGVTNLZZHCRU-UHFFFAOYSA-N
MW597.76 g/mol
LogP11.43
Rot. Bonds1

About 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (PubChem CID 123926035) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole].

Molecular Properties

Compound Name11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
PubChem CID123926035
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC Name11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc21
InChIInChI=1S/C46H31N/c1-45(2)37-18-8-3-13-29(37)33-24-23-28(27-41(33)45)47-42-22-12-7-17-34(42)36-26-25-35-32-16-6-11-21-40(32)46(43(35)44(36)47)38-19-9-4-14-30(38)31-15-5-10-20-39(31)46/h3-27H,1-2H3
InChIKeyRYYGVTNLZZHCRU-UHFFFAOYSA-N
XLogP11.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286550
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357432
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331859
CID 134551753
CID 134551753
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537506
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-14-(9,9-dimethylfluoren-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122469773
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
CID 118301033
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405

Frequently Asked Questions

What is the IUPAC name of 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The IUPAC name of 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (CID 123926035) is 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole].
What is the SMILES notation for 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The canonical SMILES for 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc21.
What is the InChIKey of 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The InChIKey is RYYGVTNLZZHCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-45(2)37-18-8-3-13-29(37)33-24-23-28(27-41(33)45)47-42-22-12-7-17-34(42)36-26-25-35-32-16-6-11-21-40(32)46(43(35)44(36)47)38-19-9-4-14-30(38)31-15-5-10-20-39(31)46/h3-27H,1-2H3.
What are the key properties of 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] has a molecular weight of 597.76 g/mol, XLogP of 11.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is sourced from PubChem (CID 123926035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).