12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C55H31NO — CID 169060662

IUPAC12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2cc3oc4cc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)cc5c6ccccc6c(c2)c3c45)cc1
InChIInChI=1S/C55H31NO/c1-2-14-32(15-3-1)33-28-42-35-16-4-5-17-36(35)43-30-34(31-50-53(43)52(42)49(29-33)57-50)56-48-25-13-9-20-39(48)40-26-27-47-51(54(40)56)41-21-8-12-24-46(41)55(47)44-22-10-6-18-37(44)38-19-7-11-23-45(38)55/h1-31H
InChIKeyCNROOWLOIWMPPY-UHFFFAOYSA-N
MW721.86 g/mol
LogP14.44
Rot. Bonds2

About 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 169060662) has the molecular formula C55H31NO and a molecular weight of 721.86 g/mol. Its IUPAC name is 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID169060662
Molecular FormulaC55H31NO
Molecular Weight721.86 g/mol
Exact Mass721.24
IUPAC Name12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2cc3oc4cc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)cc5c6ccccc6c(c2)c3c45)cc1
InChIInChI=1S/C55H31NO/c1-2-14-32(15-3-1)33-28-42-35-16-4-5-17-36(35)43-30-34(31-50-53(43)52(42)49(29-33)57-50)56-48-25-13-9-20-39(48)40-26-27-47-51(54(40)56)41-21-8-12-24-46(41)55(47)44-22-10-6-18-37(44)38-19-7-11-23-45(38)55/h1-31H
InChIKeyCNROOWLOIWMPPY-UHFFFAOYSA-N
XLogP14.44
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.86
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] with MolForge

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Related Compounds

11-phenyl-12-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)indolo[2,3-a]carbazole
CID 169060617
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
12'-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014953
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
12'-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 130327316
12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253707
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
CID 134551739
CID 134551739
12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 139407394

Frequently Asked Questions

What is the IUPAC name of 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 169060662) is 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1ccc(-c2cc3oc4cc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)cc5c6ccccc6c(c2)c3c45)cc1.
What is the InChIKey of 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The InChIKey is CNROOWLOIWMPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31NO/c1-2-14-32(15-3-1)33-28-42-35-16-4-5-17-36(35)43-30-34(31-50-53(43)52(42)49(29-33)57-50)56-48-25-13-9-20-39(48)40-26-27-47-51(54(40)56)41-21-8-12-24-46(41)55(47)44-22-10-6-18-37(44)38-19-7-11-23-45(38)55/h1-31H.
What are the key properties of 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 721.86 g/mol, XLogP of 14.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 169060662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).