anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]

C156H114 — CID 158056839

IUPACanthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C25H16.C25H18.C18H12.C16H10.C15H14.2C14H10.C13H10.C10H8.C6H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h1-16H;1-18H;1-12H;1-10H;3-10H,1-2H3;2*1-10H;1-8H,9H2;1-8H;1-6H
InChIKeyFKDRUGPIOBABGW-UHFFFAOYSA-N
MW1988.63 g/mol
LogP41.57
Rot. Bonds2

About anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]

anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene] (PubChem CID 158056839) has the molecular formula C156H114 and a molecular weight of 1988.63 g/mol. Its IUPAC name is anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene].

Molecular Properties

Compound Nameanthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]
PubChem CID158056839
Molecular FormulaC156H114
Molecular Weight1988.63 g/mol
Exact Mass1986.89
IUPAC Nameanthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C25H16.C25H18.C18H12.C16H10.C15H14.2C14H10.C13H10.C10H8.C6H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h1-16H;1-18H;1-12H;1-10H;3-10H,1-2H3;2*1-10H;1-8H,9H2;1-8H;1-6H
InChIKeyFKDRUGPIOBABGW-UHFFFAOYSA-N
XLogP41.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001988.63
LogP ≤ 541.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

anthracene;benzene;1,1'-biphenyl;chrysene;9,9-dimethylfluorene;(2,2-dimethylpropane);1,4-diphenylbenzene;methane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene
CID 159148400
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311
bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439
bis(9,10-dihydrophenanthrene);9,9-dimethylfluorene;9,9-diphenylfluorene;ethane;3-methylfluoranthene;pyrene;9,9'-spirobi[fluorene];4,5,9,10-tetrahydropyrene
CID 159447619
anthracene;chrysene;21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;phenanthrene;picene;pyrene;tetracene
CID 160670506
20,20-dimethylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14,16,18,21,23-dodecaene
CID 123610165
9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene
CID 161427401
N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 166732688
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59195354
2-methyl-9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];2,9,9-trimethylfluorene
CID 158540560
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]?
The IUPAC name of anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene] (CID 158056839) is anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene].
What is the SMILES notation for anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]?
The canonical SMILES for anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene] is CC1(C)c2ccccc2-c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]?
The InChIKey is FKDRUGPIOBABGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C25H18.C18H12.C16H10.C15H14.2C14H10.C13H10.C10H8.C6H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h1-16H;1-18H;1-12H;1-10H;3-10H,1-2H3;2*1-10H;1-8H,9H2;1-8H;1-6H.
What are the key properties of anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]?
anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene] has a molecular weight of 1988.63 g/mol, XLogP of 41.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene] is sourced from PubChem (CID 158056839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).