9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole

C50H31N — CID 167069581

IUPAC9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-n3c4ccccc4c4ccccc43)ccc1-2
InChIInChI=1S/C50H31N/c1-3-19-41-33(13-1)34-14-2-4-20-42(34)49(41)31-25-27-37-38-28-26-32(51-47-23-11-7-17-39(47)40-18-8-12-24-48(40)51)30-46(38)50(45(37)29-31)43-21-9-5-15-35(43)36-16-6-10-22-44(36)50/h1-30,49H
InChIKeyRNXCRNDTKQQKLX-UHFFFAOYSA-N
MW645.81 g/mol
LogP12.29
Rot. Bonds2

About 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole

9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole (PubChem CID 167069581) has the molecular formula C50H31N and a molecular weight of 645.81 g/mol. Its IUPAC name is 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole.

Molecular Properties

Compound Name9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
PubChem CID167069581
Molecular FormulaC50H31N
Molecular Weight645.81 g/mol
Exact Mass645.25
IUPAC Name9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-n3c4ccccc4c4ccccc43)ccc1-2
InChIInChI=1S/C50H31N/c1-3-19-41-33(13-1)34-14-2-4-20-42(34)49(41)31-25-27-37-38-28-26-32(51-47-23-11-7-17-39(47)40-18-8-12-24-48(40)51)30-46(38)50(45(37)29-31)43-21-9-5-15-35(43)36-16-6-10-22-44(36)50/h1-30,49H
InChIKeyRNXCRNDTKQQKLX-UHFFFAOYSA-N
XLogP12.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole
CID 122413347
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-[9-[4-[4-(2-carbazol-9-yl-9H-fluoren-9-yl)phenyl]phenyl]-9H-fluoren-2-yl]carbazole
CID 134379825
CID 134551753
CID 134551753
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
CID 58435369
CID 134551673
CID 134551673
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 88886986
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
3-(9-phenylcarbazol-3-yl)-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
CID 122491465

Frequently Asked Questions

What is the IUPAC name of 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole?
The IUPAC name of 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole (CID 167069581) is 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole.
What is the SMILES notation for 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole?
The canonical SMILES for 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole is c1ccc2c(c1)-c1ccccc1C2c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-n3c4ccccc4c4ccccc43)ccc1-2.
What is the InChIKey of 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole?
The InChIKey is RNXCRNDTKQQKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N/c1-3-19-41-33(13-1)34-14-2-4-20-42(34)49(41)31-25-27-37-38-28-26-32(51-47-23-11-7-17-39(47)40-18-8-12-24-48(40)51)30-46(38)50(45(37)29-31)43-21-9-5-15-35(43)36-16-6-10-22-44(36)50/h1-30,49H.
What are the key properties of 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole?
9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole has a molecular weight of 645.81 g/mol, XLogP of 12.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole is sourced from PubChem (CID 167069581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).