3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole

C62H37N — CID 122413347

IUPAC3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C62H37N/c1-3-19-43-39(15-1)40-16-2-4-20-44(40)51-36-58-53(35-50(43)51)52-34-38(30-31-57(52)62(58)55-26-12-9-21-45(55)46-22-10-13-27-56(46)62)63-59-28-14-11-23-47(59)54-33-37(29-32-60(54)63)61-48-24-7-5-17-41(48)42-18-6-8-25-49(42)61/h1-36,61H
InChIKeyMSOXQVVXRNDRBF-UHFFFAOYSA-N
MW795.99 g/mol
LogP15.75
Rot. Bonds2

About 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole

3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole (PubChem CID 122413347) has the molecular formula C62H37N and a molecular weight of 795.99 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole
PubChem CID122413347
Molecular FormulaC62H37N
Molecular Weight795.99 g/mol
Exact Mass795.29
IUPAC Name3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole
SMILESc1ccc2c(c1)-c1ccccc1C2c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C62H37N/c1-3-19-43-39(15-1)40-16-2-4-20-44(40)51-36-58-53(35-50(43)51)52-34-38(30-31-57(52)62(58)55-26-12-9-21-45(55)46-22-10-13-27-56(46)62)63-59-28-14-11-23-47(59)54-33-37(29-32-60(54)63)61-48-24-7-5-17-41(48)42-18-6-8-25-49(42)61/h1-36,61H
InChIKeyMSOXQVVXRNDRBF-UHFFFAOYSA-N
XLogP15.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole with MolForge

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Related Compounds

9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 167069581
CID 134551753
CID 134551753
CID 134551673
CID 134551673
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
9-[9-[4-[4-(2-carbazol-9-yl-9H-fluoren-9-yl)phenyl]phenyl]-9H-fluoren-2-yl]carbazole
CID 134379825
CID 134551686
CID 134551686
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole?
The IUPAC name of 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole (CID 122413347) is 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole?
The canonical SMILES for 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole is c1ccc2c(c1)-c1ccccc1C2c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc3c4ccccc4c4ccccc4c3cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole?
The InChIKey is MSOXQVVXRNDRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N/c1-3-19-43-39(15-1)40-16-2-4-20-44(40)51-36-58-53(35-50(43)51)52-34-38(30-31-57(52)62(58)55-26-12-9-21-45(55)46-22-10-13-27-56(46)62)63-59-28-14-11-23-47(59)54-33-37(29-32-60(54)63)61-48-24-7-5-17-41(48)42-18-6-8-25-49(42)61/h1-36,61H.
What are the key properties of 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole?
3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole has a molecular weight of 795.99 g/mol, XLogP of 15.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-9-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-ylcarbazole is sourced from PubChem (CID 122413347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).