11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole

C50H39N — CID 164940855

IUPAC11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C50H39N/c1-2-8-33(9-3-1)34-14-19-40(20-15-34)51-48-23-18-37(30-45(48)43-21-16-35-10-4-5-11-41(35)49(43)51)36-17-22-47-44(29-36)42-12-6-7-13-46(42)50(47)38-25-31-24-32(27-38)28-39(50)26-31/h1-23,29-32,38-39H,24-28H2
InChIKeyXTGYEIPLKRIKMK-UHFFFAOYSA-N
MW653.87 g/mol
LogP12.99
Rot. Bonds3

About 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole

11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole (PubChem CID 164940855) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole
PubChem CID164940855
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC Name11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C50H39N/c1-2-8-33(9-3-1)34-14-19-40(20-15-34)51-48-23-18-37(30-45(48)43-21-16-35-10-4-5-11-41(35)49(43)51)36-17-22-47-44(29-36)42-12-6-7-13-46(42)50(47)38-25-31-24-32(27-38)28-39(50)26-31/h1-23,29-32,38-39H,24-28H2
InChIKeyXTGYEIPLKRIKMK-UHFFFAOYSA-N
XLogP12.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
12-(4-tert-butylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-adamantane]
CID 164819378
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
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
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]
CID 164819419
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
24-(4-phenanthren-9-ylphenyl)spiro[24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,2'-adamantane]
CID 164819544
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
3-fluoro-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809994
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
N-(2,4-diphenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 163855626

Frequently Asked Questions

What is the IUPAC name of 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole?
The IUPAC name of 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole (CID 164940855) is 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole.
What is the SMILES notation for 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole?
The canonical SMILES for 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cc4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole?
The InChIKey is XTGYEIPLKRIKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-2-8-33(9-3-1)34-14-19-40(20-15-34)51-48-23-18-37(30-45(48)43-21-16-35-10-4-5-11-41(35)49(43)51)36-17-22-47-44(29-36)42-12-6-7-13-46(42)50(47)38-25-31-24-32(27-38)28-39(50)26-31/h1-23,29-32,38-39H,24-28H2.
What are the key properties of 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole?
11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole has a molecular weight of 653.87 g/mol, XLogP of 12.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-ylbenzo[a]carbazole is sourced from PubChem (CID 164940855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).