5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine

C152H100N8 — CID 164959294

IUPAC5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine
SMILESCCn1c(-c2cccc(-c3cc4nc5ccccc5cc4c4ccccc34)c2)nc2ccccc21.c1ccc(-n2c(-c3cccc(-c4cc5nc6ccccc6cc5c5ccccc45)c3)nc3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc5nc6ccccc6cc5c5ccccc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc5nc6ccccc6cc5c5ccccc45)cc32)cc1
InChIInChI=1S/2C42H27N.C36H23N3.C32H23N3/c1-3-15-29(16-4-1)42(30-17-5-2-6-18-30)37-23-11-10-21-34(37)41-33(22-13-24-38(41)42)35-27-40-36(32-20-9-8-19-31(32)35)26-28-14-7-12-25-39(28)43-40;1-3-14-30(15-4-1)42(31-16-5-2-6-17-31)38-21-11-10-20-34(38)35-24-23-28(26-39(35)42)36-27-41-37(33-19-9-8-18-32(33)36)25-29-13-7-12-22-40(29)43-41;1-2-14-27(15-3-1)39-35-20-9-8-19-33(35)38-36(39)26-13-10-12-24(21-26)30-23-34-31(29-17-6-5-16-28(29)30)22-25-11-4-7-18-32(25)37-34;1-2-35-31-17-8-7-16-29(31)34-32(35)23-12-9-11-21(18-23)26-20-30-27(25-14-5-4-13-24(25)26)19-22-10-3-6-15-28(22)33-30/h2*1-27H;1-23H;3-20H,2H2,1H3
InChIKeyBPKKXMXMWYSDGJ-UHFFFAOYSA-N
MW2038.53 g/mol
LogP38.60
Rot. Bonds12

About 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine

5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine (PubChem CID 164959294) has the molecular formula C152H100N8 and a molecular weight of 2038.53 g/mol. Its IUPAC name is 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine.

Molecular Properties

Compound Name5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine
PubChem CID164959294
Molecular FormulaC152H100N8
Molecular Weight2038.53 g/mol
Exact Mass2036.81
IUPAC Name5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine
SMILESCCn1c(-c2cccc(-c3cc4nc5ccccc5cc4c4ccccc34)c2)nc2ccccc21.c1ccc(-n2c(-c3cccc(-c4cc5nc6ccccc6cc5c5ccccc45)c3)nc3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc5nc6ccccc6cc5c5ccccc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc5nc6ccccc6cc5c5ccccc45)cc32)cc1
InChIInChI=1S/2C42H27N.C36H23N3.C32H23N3/c1-3-15-29(16-4-1)42(30-17-5-2-6-18-30)37-23-11-10-21-34(37)41-33(22-13-24-38(41)42)35-27-40-36(32-20-9-8-19-31(32)35)26-28-14-7-12-25-39(28)43-40;1-3-14-30(15-4-1)42(31-16-5-2-6-17-31)38-21-11-10-20-34(38)35-24-23-28(26-39(35)42)36-27-41-37(33-19-9-8-18-32(33)36)25-29-13-7-12-22-40(29)43-41;1-2-14-27(15-3-1)39-35-20-9-8-19-33(35)38-36(39)26-13-10-12-24(21-26)30-23-34-31(29-17-6-5-16-28(29)30)22-25-11-4-7-18-32(25)37-34;1-2-35-31-17-8-7-16-29(31)34-32(35)23-12-9-11-21(18-23)26-20-30-27(25-14-5-4-13-24(25)26)19-22-10-3-6-15-28(22)33-30/h2*1-27H;1-23H;3-20H,2H2,1H3
InChIKeyBPKKXMXMWYSDGJ-UHFFFAOYSA-N
XLogP38.60
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002038.53
LogP ≤ 538.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 142453614
2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole
CID 155334842
1-(4-phenylphenyl)-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-ylbenzimidazole
CID 134528323
1-phenyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)benzimidazole
CID 137494336
10,10-diphenyl-21-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129123975
2-(9,9-dimethylfluoren-2-yl)-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-(9,9-diphenylfluoren-2-yl)-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-naphthalen-1-yl-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(2-phenylphenyl)quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(3-phenylphenyl)quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(9,9'-spirobi[fluorene]-2-yl)quinoxaline
CID 159070372
2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole
CID 138574311
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
CID 58500843
9,9-diphenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124126
2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 58894769
CID 23590277
CID 23590277

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine?
The IUPAC name of 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine (CID 164959294) is 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine.
What is the SMILES notation for 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine?
The canonical SMILES for 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine is CCn1c(-c2cccc(-c3cc4nc5ccccc5cc4c4ccccc34)c2)nc2ccccc21.c1ccc(-n2c(-c3cccc(-c4cc5nc6ccccc6cc5c5ccccc45)c3)nc3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc5nc6ccccc6cc5c5ccccc45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc5nc6ccccc6cc5c5ccccc45)cc32)cc1.
What is the InChIKey of 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine?
The InChIKey is BPKKXMXMWYSDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H27N.C36H23N3.C32H23N3/c1-3-15-29(16-4-1)42(30-17-5-2-6-18-30)37-23-11-10-21-34(37)41-33(22-13-24-38(41)42)35-27-40-36(32-20-9-8-19-31(32)35)26-28-14-7-12-25-39(28)43-40;1-3-14-30(15-4-1)42(31-16-5-2-6-17-31)38-21-11-10-20-34(38)35-24-23-28(26-39(35)42)36-27-41-37(33-19-9-8-18-32(33)36)25-29-13-7-12-22-40(29)43-41;1-2-14-27(15-3-1)39-35-20-9-8-19-33(35)38-36(39)26-13-10-12-24(21-26)30-23-34-31(29-17-6-5-16-28(29)30)22-25-11-4-7-18-32(25)37-34;1-2-35-31-17-8-7-16-29(31)34-32(35)23-12-9-11-21(18-23)26-20-30-27(25-14-5-4-13-24(25)26)19-22-10-3-6-15-28(22)33-30/h2*1-27H;1-23H;3-20H,2H2,1H3.
What are the key properties of 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine?
5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine has a molecular weight of 2038.53 g/mol, XLogP of 38.60, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-diphenylfluoren-2-yl)benzo[a]acridine;5-(9,9-diphenylfluoren-4-yl)benzo[a]acridine;5-[3-(1-ethylbenzimidazol-2-yl)phenyl]benzo[a]acridine;5-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]acridine is sourced from PubChem (CID 164959294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).