10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]

C55H46N2 — CID 163938551

IUPAC10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)c(-n4c5ccccc5c5ccccc54)c3)ccc21
InChIInChI=1S/C55H46N2/c1-54(2)44-16-6-3-13-40(44)43-32-36(23-25-45(43)54)37-24-26-52(53(33-37)56-48-19-9-4-14-41(48)42-15-5-10-20-49(42)56)57-50-21-11-7-17-46(50)55(47-18-8-12-22-51(47)57)38-28-34-27-35(30-38)31-39(55)29-34/h3-26,32-35,38-39H,27-31H2,1-2H3
InChIKeyJEHDGNRFLGWANL-UHFFFAOYSA-N
MW734.99 g/mol
LogP14.28
Rot. Bonds3

About 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]

10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane] (PubChem CID 163938551) has the molecular formula C55H46N2 and a molecular weight of 734.99 g/mol. Its IUPAC name is 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]
PubChem CID163938551
Molecular FormulaC55H46N2
Molecular Weight734.99 g/mol
Exact Mass734.37
IUPAC Name10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)c(-n4c5ccccc5c5ccccc54)c3)ccc21
InChIInChI=1S/C55H46N2/c1-54(2)44-16-6-3-13-40(44)43-32-36(23-25-45(43)54)37-24-26-52(53(33-37)56-48-19-9-4-14-41(48)42-15-5-10-20-49(42)56)57-50-21-11-7-17-46(50)55(47-18-8-12-22-51(47)57)38-28-34-27-35(30-38)31-39(55)29-34/h3-26,32-35,38-39H,27-31H2,1-2H3
InChIKeyJEHDGNRFLGWANL-UHFFFAOYSA-N
XLogP14.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.99
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(9,9-dimethylfluoren-4-yl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 164940817
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]
CID 163809128
5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]
CID 167004612
3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 156561672
9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156577225
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
3'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)carbazole
CID 164972681
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565

Frequently Asked Questions

What is the IUPAC name of 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]?
The IUPAC name of 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane] (CID 163938551) is 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane].
What is the SMILES notation for 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]?
The canonical SMILES for 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane] is CC1(C)c2ccccc2-c2cc(-c3ccc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)c(-n4c5ccccc5c5ccccc54)c3)ccc21.
What is the InChIKey of 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]?
The InChIKey is JEHDGNRFLGWANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N2/c1-54(2)44-16-6-3-13-40(44)43-32-36(23-25-45(43)54)37-24-26-52(53(33-37)56-48-19-9-4-14-41(48)42-15-5-10-20-49(42)56)57-50-21-11-7-17-46(50)55(47-18-8-12-22-51(47)57)38-28-34-27-35(30-38)31-39(55)29-34/h3-26,32-35,38-39H,27-31H2,1-2H3.
What are the key properties of 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]?
10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane] has a molecular weight of 734.99 g/mol, XLogP of 14.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 163938551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).