6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol

C99H60O3 — CID 89491461

IUPAC6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc6ccccc6cc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6cc(O)ccc6c4)(c4ccc6cc7ccccc7cc6c4)c4ccccc4-5)C(c4ccc5cc(O)ccc5c4)(c4ccc5cc6ccccc6cc5c4)c4ccccc4-3)ccc2c1
InChIInChI=1S/C99H60O3/c100-82-40-31-67-49-76(37-28-70(67)55-82)97(79-34-25-64-43-58-13-1-4-16-61(58)46-73(64)52-79)88-22-10-7-19-85(88)91-94(97)92-86-20-8-11-23-89(86)98(77-38-29-71-56-83(101)41-32-68(71)50-77,80-35-26-65-44-59-14-2-5-17-62(59)47-74(65)53-80)96(92)93-87-21-9-12-24-90(87)99(95(91)93,78-39-30-72-57-84(102)42-33-69(72)51-78)81-36-27-66-45-60-15-3-6-18-63(60)48-75(66)54-81/h1-57,100-102H
InChIKeyFIYGSZATXAXIFO-UHFFFAOYSA-N
MW1297.57 g/mol
LogP24.27
Rot. Bonds6

About 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol

6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol (PubChem CID 89491461) has the molecular formula C99H60O3 and a molecular weight of 1297.57 g/mol. Its IUPAC name is 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
PubChem CID89491461
Molecular FormulaC99H60O3
Molecular Weight1297.57 g/mol
Exact Mass1296.45
IUPAC Name6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc6ccccc6cc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6cc(O)ccc6c4)(c4ccc6cc7ccccc7cc6c4)c4ccccc4-5)C(c4ccc5cc(O)ccc5c4)(c4ccc5cc6ccccc6cc5c4)c4ccccc4-3)ccc2c1
InChIInChI=1S/C99H60O3/c100-82-40-31-67-49-76(37-28-70(67)55-82)97(79-34-25-64-43-58-13-1-4-16-61(58)46-73(64)52-79)88-22-10-7-19-85(88)91-94(97)92-86-20-8-11-23-89(86)98(77-38-29-71-56-83(101)41-32-68(71)50-77,80-35-26-65-44-59-14-2-5-17-62(59)47-74(65)53-80)96(92)93-87-21-9-12-24-90(87)99(95(91)93,78-39-30-72-57-84(102)42-33-69(72)51-78)81-36-27-66-45-60-15-3-6-18-63(60)48-75(66)54-81/h1-57,100-102H
InChIKeyFIYGSZATXAXIFO-UHFFFAOYSA-N
XLogP24.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.57
LogP ≤ 524.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol with MolForge

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Related Compounds

6-[18,27-bis(6-hydroxynaphthalen-2-yl)-9,18,27-trinaphthalen-2-yl-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491411
6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491369
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216
anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol
CID 165116782
11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158052196
6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 154629781
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene
CID 158465473

Frequently Asked Questions

What is the IUPAC name of 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol?
The IUPAC name of 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol (CID 89491461) is 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol.
What is the SMILES notation for 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol?
The canonical SMILES for 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol is Oc1ccc2cc(C3(c4ccc5cc6ccccc6cc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6cc(O)ccc6c4)(c4ccc6cc7ccccc7cc6c4)c4ccccc4-5)C(c4ccc5cc(O)ccc5c4)(c4ccc5cc6ccccc6cc5c4)c4ccccc4-3)ccc2c1.
What is the InChIKey of 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol?
The InChIKey is FIYGSZATXAXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H60O3/c100-82-40-31-67-49-76(37-28-70(67)55-82)97(79-34-25-64-43-58-13-1-4-16-61(58)46-73(64)52-79)88-22-10-7-19-85(88)91-94(97)92-86-20-8-11-23-89(86)98(77-38-29-71-56-83(101)41-32-68(71)50-77,80-35-26-65-44-59-14-2-5-17-62(59)47-74(65)53-80)96(92)93-87-21-9-12-24-90(87)99(95(91)93,78-39-30-72-57-84(102)42-33-69(72)51-78)81-36-27-66-45-60-15-3-6-18-63(60)48-75(66)54-81/h1-57,100-102H.
What are the key properties of 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol?
6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol has a molecular weight of 1297.57 g/mol, XLogP of 24.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol is sourced from PubChem (CID 89491461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).