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

C142H102N4 — CID 165074114

IUPAC2-(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
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8c(ccc9cc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12-%11)C%11CC%12CC(C%11)CC%10C%12)ccc98)c7)c6c5)cc43)c2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5ccc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10cccc%11ccccc%10%11)c9c8)cc76)cc5c4c3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C72H52N2.C70H50N2/c1-2-11-46(12-3-1)47-13-10-14-56(39-47)73-68-19-8-5-16-62(68)64-30-25-50(42-70(64)73)51-26-31-65-63-17-6-9-20-69(63)74(71(65)43-51)57-27-32-59-53(40-57)22-21-52-38-48(23-28-58(52)59)49-24-29-61-60-15-4-7-18-66(60)72(67(61)41-49)54-34-44-33-45(36-54)37-55(72)35-44;1-2-12-54-44(10-1)11-9-19-65(54)72-67-18-8-5-15-58(67)60-31-27-50(40-69(60)72)49-26-30-59-57-14-4-7-17-66(57)71(68(59)39-49)53-28-24-46-21-20-45-22-23-47(37-61(45)62(46)41-53)48-25-29-56-55-13-3-6-16-63(55)70(64(56)38-48)51-33-42-32-43(35-51)36-52(70)34-42/h1-32,38-45,54-55H,33-37H2;1-31,37-43,51-52H,32-36H2
InChIKeyUABADPZCFHWLHT-UHFFFAOYSA-N
MW1864.41 g/mol
LogP37.31
Rot. Bonds9

About 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

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 (PubChem CID 165074114) has the molecular formula C142H102N4 and a molecular weight of 1864.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID165074114
Molecular FormulaC142H102N4
Molecular Weight1864.41 g/mol
Exact Mass1862.81
IUPAC Name2-(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
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8c(ccc9cc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12-%11)C%11CC%12CC(C%11)CC%10C%12)ccc98)c7)c6c5)cc43)c2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5ccc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10cccc%11ccccc%10%11)c9c8)cc76)cc5c4c3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C72H52N2.C70H50N2/c1-2-11-46(12-3-1)47-13-10-14-56(39-47)73-68-19-8-5-16-62(68)64-30-25-50(42-70(64)73)51-26-31-65-63-17-6-9-20-69(63)74(71(65)43-51)57-27-32-59-53(40-57)22-21-52-38-48(23-28-58(52)59)49-24-29-61-60-15-4-7-18-66(60)72(67(61)41-49)54-34-44-33-45(36-54)37-55(72)35-44;1-2-12-54-44(10-1)11-9-19-65(54)72-67-18-8-5-15-58(67)60-31-27-50(40-69(60)72)49-26-30-59-57-14-4-7-17-66(57)71(68(59)39-49)53-28-24-46-21-20-45-22-23-47(37-61(45)62(46)41-53)48-25-29-56-55-13-3-6-16-63(55)70(64(56)38-48)51-33-42-32-43(35-51)36-52(70)34-42/h1-32,38-45,54-55H,33-37H2;1-31,37-43,51-52H,32-36H2
InChIKeyUABADPZCFHWLHT-UHFFFAOYSA-N
XLogP37.31
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001864.41
LogP ≤ 537.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(3-phenylphenyl)carbazol-4-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164952773
12-(3-phenanthren-2-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-adamantane]
CID 164819528
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
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
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027
2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809995
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
3-fluoro-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809994
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8c(ccc9cc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12-%11)C%11CC%12CC(C%11)CC%10C%12)ccc98)c7)c6c5)cc43)c2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5ccc(-n6c7ccccc7c7ccc(-c8ccc9c%10ccccc%10n(-c%10cccc%11ccccc%10%11)c9c8)cc76)cc5c4c3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 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?
The InChIKey is UABADPZCFHWLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2.C70H50N2/c1-2-11-46(12-3-1)47-13-10-14-56(39-47)73-68-19-8-5-16-62(68)64-30-25-50(42-70(64)73)51-26-31-65-63-17-6-9-20-69(63)74(71(65)43-51)57-27-32-59-53(40-57)22-21-52-38-48(23-28-58(52)59)49-24-29-61-60-15-4-7-18-66(60)72(67(61)41-49)54-34-44-33-45(36-54)37-55(72)35-44;1-2-12-54-44(10-1)11-9-19-65(54)72-67-18-8-5-15-58(67)60-31-27-50(40-69(60)72)49-26-30-59-57-14-4-7-17-66(57)71(68(59)39-49)53-28-24-46-21-20-45-22-23-47(37-61(45)62(46)41-53)48-25-29-56-55-13-3-6-16-63(55)70(64(56)38-48)51-33-42-32-43(35-51)36-52(70)34-42/h1-32,38-45,54-55H,33-37H2;1-31,37-43,51-52H,32-36H2.
What are the key properties of 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?
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 has a molecular weight of 1864.41 g/mol, XLogP of 37.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165074114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).