9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole

C78H62N2O — CID 163670141

IUPAC9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole
SMILESCC1(c2c3c4c(c5c2oc2c(C6(C)c7ccccc7-c7ccc(-n8c9ccccc9c9ccccc98)cc76)c6c7c(c25)CCCC7CCC6)CCCC4CCC3)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C78H62N2O/c1-77(61-33-9-3-23-49(61)51-41-39-47(43-63(51)77)79-65-35-11-5-25-53(65)54-26-6-12-36-66(54)79)73-59-31-17-21-45-19-15-29-57(69(45)59)71-72-58-30-16-20-46-22-18-32-60(70(46)58)74(76(72)81-75(71)73)78(2)62-34-10-4-24-50(62)52-42-40-48(44-64(52)78)80-67-37-13-7-27-55(67)56-28-8-14-38-68(56)80/h3-14,23-28,33-46H,15-22,29-32H2,1-2H3
InChIKeyJBUZMRYJSKKBLU-UHFFFAOYSA-N
MW1043.37 g/mol
LogP19.96
Rot. Bonds4

About 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole

9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole (PubChem CID 163670141) has the molecular formula C78H62N2O and a molecular weight of 1043.37 g/mol. Its IUPAC name is 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole.

Molecular Properties

Compound Name9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole
PubChem CID163670141
Molecular FormulaC78H62N2O
Molecular Weight1043.37 g/mol
Exact Mass1042.49
IUPAC Name9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole
SMILESCC1(c2c3c4c(c5c2oc2c(C6(C)c7ccccc7-c7ccc(-n8c9ccccc9c9ccccc98)cc76)c6c7c(c25)CCCC7CCC6)CCCC4CCC3)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C78H62N2O/c1-77(61-33-9-3-23-49(61)51-41-39-47(43-63(51)77)79-65-35-11-5-25-53(65)54-26-6-12-36-66(54)79)73-59-31-17-21-45-19-15-29-57(69(45)59)71-72-58-30-16-20-46-22-18-32-60(70(46)58)74(76(72)81-75(71)73)78(2)62-34-10-4-24-50(62)52-42-40-48(44-64(52)78)80-67-37-13-7-27-55(67)56-28-8-14-38-68(56)80/h3-14,23-28,33-46H,15-22,29-32H2,1-2H3
InChIKeyJBUZMRYJSKKBLU-UHFFFAOYSA-N
XLogP19.96
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.37
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole?
The IUPAC name of 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole (CID 163670141) is 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole.
What is the SMILES notation for 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole?
The canonical SMILES for 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole is CC1(c2c3c4c(c5c2oc2c(C6(C)c7ccccc7-c7ccc(-n8c9ccccc9c9ccccc98)cc76)c6c7c(c25)CCCC7CCC6)CCCC4CCC3)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole?
The InChIKey is JBUZMRYJSKKBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62N2O/c1-77(61-33-9-3-23-49(61)51-41-39-47(43-63(51)77)79-65-35-11-5-25-53(65)54-26-6-12-36-66(54)79)73-59-31-17-21-45-19-15-29-57(69(45)59)71-72-58-30-16-20-46-22-18-32-60(70(46)58)74(76(72)81-75(71)73)78(2)62-34-10-4-24-50(62)52-42-40-48(44-64(52)78)80-67-37-13-7-27-55(67)56-28-8-14-38-68(56)80/h3-14,23-28,33-46H,15-22,29-32H2,1-2H3.
What are the key properties of 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole?
9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole has a molecular weight of 1043.37 g/mol, XLogP of 19.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[17-(2-carbazol-9-yl-9-methylfluoren-9-yl)-15-oxaheptacyclo[16.7.1.14,8.02,16.03,14.022,26.012,27]heptacosa-1,3,12(27),13,16,18(26)-hexaen-13-yl]-9-methylfluoren-2-yl]carbazole is sourced from PubChem (CID 163670141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).