2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole

C154H109N5O — CID 165110729

IUPAC2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)ccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccc%10ccccc%10c9)cc8)c7c6)cc54)cc32)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc5cc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccc%11c(c%10)oc%10ccccc%10%11)c9c8)cc76)ccc5c4)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C80H57N3.C74H52N2O/c1-2-14-61(15-3-1)82-77-45-56(55-26-33-65-64-16-6-9-19-72(64)80(73(65)44-55)59-39-49-38-50(41-59)42-60(80)40-49)27-36-70(77)71-37-32-63(48-79(71)82)83-75-21-11-8-18-67(75)69-35-29-58(47-78(69)83)57-28-34-68-66-17-7-10-20-74(66)81(76(68)46-57)62-30-24-52(25-31-62)54-23-22-51-12-4-5-13-53(51)43-54;1-5-13-66-58(9-1)59-29-24-51(40-67(59)74(66)54-34-44-33-45(36-54)37-55(74)35-44)47-19-17-46(18-20-47)48-21-22-50-39-56(27-23-49(50)38-48)75-68-14-6-2-10-60(68)62-30-25-52(41-70(62)75)53-26-31-63-61-11-3-7-15-69(61)76(71(63)42-53)57-28-32-65-64-12-4-8-16-72(64)77-73(65)43-57/h1-37,43-50,59-60H,38-42H2;1-32,38-45,54-55H,33-37H2
InChIKeyZXDDAJFLRPLDMO-UHFFFAOYSA-N
MW2045.60 g/mol
LogP40.51
Rot. Bonds11

About 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole

2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole (PubChem CID 165110729) has the molecular formula C154H109N5O and a molecular weight of 2045.60 g/mol. Its IUPAC name is 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
PubChem CID165110729
Molecular FormulaC154H109N5O
Molecular Weight2045.60 g/mol
Exact Mass2043.86
IUPAC Name2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)ccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccc%10ccccc%10c9)cc8)c7c6)cc54)cc32)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc5cc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccc%11c(c%10)oc%10ccccc%10%11)c9c8)cc76)ccc5c4)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C80H57N3.C74H52N2O/c1-2-14-61(15-3-1)82-77-45-56(55-26-33-65-64-16-6-9-19-72(64)80(73(65)44-55)59-39-49-38-50(41-59)42-60(80)40-49)27-36-70(77)71-37-32-63(48-79(71)82)83-75-21-11-8-18-67(75)69-35-29-58(47-78(69)83)57-28-34-68-66-17-7-10-20-74(66)81(76(68)46-57)62-30-24-52(25-31-62)54-23-22-51-12-4-5-13-53(51)43-54;1-5-13-66-58(9-1)59-29-24-51(40-67(59)74(66)54-34-44-33-45(36-54)37-55(74)35-44)47-19-17-46(18-20-47)48-21-22-50-39-56(27-23-49(50)38-48)75-68-14-6-2-10-60(68)62-30-25-52(41-70(62)75)53-26-31-63-61-11-3-7-15-69(61)76(71(63)42-53)57-28-32-65-64-12-4-8-16-72(64)77-73(65)43-57/h1-37,43-50,59-60H,38-42H2;1-32,38-45,54-55H,33-37H2
InChIKeyZXDDAJFLRPLDMO-UHFFFAOYSA-N
XLogP40.51
TPSA37.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002045.60
LogP ≤ 540.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole with MolForge

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Related Compounds

3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165034164
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 156561488
2-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;bis(2-dibenzofuran-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole);3-dibenzofuran-3-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165104436
2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole
CID 165043063
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
3-fluoro-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809994
2-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753463
2-(9-naphthalen-1-ylcarbazol-2-yl)-9-(6-spiro[adamantane-2,9'-fluorene]-2'-ylphenanthren-3-yl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-(7-spiro[adamantane-2,9'-fluorene]-2'-ylphenanthren-2-yl)carbazole
CID 165074114
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393695
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 155399634
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The IUPAC name of 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole (CID 165110729) is 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole.
What is the SMILES notation for 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The canonical SMILES for 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole is c1ccc(-n2c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)ccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccc%10ccccc%10c9)cc8)c7c6)cc54)cc32)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc5cc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccc%11c(c%10)oc%10ccccc%10%11)c9c8)cc76)ccc5c4)cc3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The InChIKey is ZXDDAJFLRPLDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H57N3.C74H52N2O/c1-2-14-61(15-3-1)82-77-45-56(55-26-33-65-64-16-6-9-19-72(64)80(73(65)44-55)59-39-49-38-50(41-59)42-60(80)40-49)27-36-70(77)71-37-32-63(48-79(71)82)83-75-21-11-8-18-67(75)69-35-29-58(47-78(69)83)57-28-34-68-66-17-7-10-20-74(66)81(76(68)46-57)62-30-24-52(25-31-62)54-23-22-51-12-4-5-13-53(51)43-54;1-5-13-66-58(9-1)59-29-24-51(40-67(59)74(66)54-34-44-33-45(36-54)37-55(74)35-44)47-19-17-46(18-20-47)48-21-22-50-39-56(27-23-49(50)38-48)75-68-14-6-2-10-60(68)62-30-25-52(41-70(62)75)53-26-31-63-61-11-3-7-15-69(61)76(71(63)42-53)57-28-32-65-64-12-4-8-16-72(64)77-73(65)43-57/h1-37,43-50,59-60H,38-42H2;1-32,38-45,54-55H,33-37H2.
What are the key properties of 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole has a molecular weight of 2045.60 g/mol, XLogP of 40.51, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole is sourced from PubChem (CID 165110729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).