3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]

C55H35N3 — CID 122367921

IUPAC3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3C3(c4ccccc4-c4ccccc43)c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C55H35N3/c1-2-16-36(17-3-1)56-53-34-37(57-49-26-12-6-20-41(49)42-21-7-13-27-50(42)57)30-32-47(53)55(45-24-10-4-18-39(45)40-19-5-11-25-46(40)55)48-33-31-38(35-54(48)56)58-51-28-14-8-22-43(51)44-23-9-15-29-52(44)58/h1-35H
InChIKeyFZPFNCWIJRBUFN-UHFFFAOYSA-N
MW737.91 g/mol
LogP14.03
Rot. Bonds3

About 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]

3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 122367921) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID122367921
Molecular FormulaC55H35N3
Molecular Weight737.91 g/mol
Exact Mass737.28
IUPAC Name3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3C3(c4ccccc4-c4ccccc43)c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C55H35N3/c1-2-16-36(17-3-1)56-53-34-37(57-49-26-12-6-20-41(49)42-21-7-13-27-50(42)57)30-32-47(53)55(45-24-10-4-18-39(45)40-19-5-11-25-46(40)55)48-33-31-38(35-54(48)56)58-51-28-14-8-22-43(51)44-23-9-15-29-52(44)58/h1-35H
InChIKeyFZPFNCWIJRBUFN-UHFFFAOYSA-N
XLogP14.03
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.91
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-3,6-bis(pyrido[2,3-b]indol-9-yl)spiro[acridine-9,9'-fluorene]
CID 122367920
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one
CID 142288083
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
3',6'-di(carbazol-9-yl)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 167177349
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]
CID 163916715
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 177278031
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
CID 121385110
CID 121385110

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene] (CID 122367921) is 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3C3(c4ccccc4-c4ccccc43)c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is FZPFNCWIJRBUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-2-16-36(17-3-1)56-53-34-37(57-49-26-12-6-20-41(49)42-21-7-13-27-50(42)57)30-32-47(53)55(45-24-10-4-18-39(45)40-19-5-11-25-46(40)55)48-33-31-38(35-54(48)56)58-51-28-14-8-22-43(51)44-23-9-15-29-52(44)58/h1-35H.
What are the key properties of 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]?
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 737.91 g/mol, XLogP of 14.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 122367921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).