10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene

C127H108BrN5 — CID 161499691

IUPAC10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene
SMILESCc1c(C)c(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2c(C)c(C)c(-c4ccccc4)c(C)c2C)c2ccccc23)c(C)c(C)c1Br.Cc1c(C)c(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2c(C)c(C)c(-n4c5ccccc5c5ccccc54)c(C)c2C)c2ccccc23)c(C)c(C)c1-c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C63H53N3.C51H45BrN2.C13H10/c1-38-40(3)60(41(4)39(2)59(38)46-24-10-9-11-25-46)65-55-34-20-14-28-49(55)63(50-29-15-21-35-56(50)65)51-30-16-22-36-57(51)66(58-37-23-17-31-52(58)63)62-44(7)42(5)61(43(6)45(62)8)64-53-32-18-12-26-47(53)48-27-13-19-33-54(48)64;1-30-34(5)49(35(6)31(2)47(30)38-20-10-9-11-21-38)53-43-26-16-12-22-39(43)51(40-23-13-17-27-44(40)53)41-24-14-18-28-45(41)54(46-29-19-15-25-42(46)51)50-36(7)32(3)48(52)33(4)37(50)8;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h9-37H,1-8H3;9-29H,1-8H3;1-8H,9H2
InChIKeyWGRDIRDNDCRYQS-UHFFFAOYSA-N
MW1784.20 g/mol
LogP34.66
Rot. Bonds7

About 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene

10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene (PubChem CID 161499691) has the molecular formula C127H108BrN5 and a molecular weight of 1784.20 g/mol. Its IUPAC name is 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene.

Molecular Properties

Compound Name10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene
PubChem CID161499691
Molecular FormulaC127H108BrN5
Molecular Weight1784.20 g/mol
Exact Mass1781.78
IUPAC Name10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene
SMILESCc1c(C)c(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2c(C)c(C)c(-c4ccccc4)c(C)c2C)c2ccccc23)c(C)c(C)c1Br.Cc1c(C)c(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2c(C)c(C)c(-n4c5ccccc5c5ccccc54)c(C)c2C)c2ccccc23)c(C)c(C)c1-c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C63H53N3.C51H45BrN2.C13H10/c1-38-40(3)60(41(4)39(2)59(38)46-24-10-9-11-25-46)65-55-34-20-14-28-49(55)63(50-29-15-21-35-56(50)65)51-30-16-22-36-57(51)66(58-37-23-17-31-52(58)63)62-44(7)42(5)61(43(6)45(62)8)64-53-32-18-12-26-47(53)48-27-13-19-33-54(48)64;1-30-34(5)49(35(6)31(2)47(30)38-20-10-9-11-21-38)53-43-26-16-12-22-39(43)51(40-23-13-17-27-44(40)53)41-24-14-18-28-45(41)54(46-29-19-15-25-42(46)51)50-36(7)32(3)48(52)33(4)37(50)8;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h9-37H,1-8H3;9-29H,1-8H3;1-8H,9H2
InChIKeyWGRDIRDNDCRYQS-UHFFFAOYSA-N
XLogP34.66
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001784.20
LogP ≤ 534.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene with MolForge

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Related Compounds

9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159545933
5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole
CID 159789344
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
9-[6-[3-(9H-fluoren-3-yl)-2,4,6-trimethyl-5-(2-phenylimidazol-1-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 144541469
4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene
CID 160921097
8-(4-bromo-2,3,5,6-tetramethylphenyl)-17-tert-butyl-14,14,22,22-tetramethyl-1,8-diazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;17-tert-butyl-8-[4-(9,9-dimethylacridin-10-yl)-2,3,5,6-tetramethylphenyl]-14,14,22,22-tetramethyl-1,8-diazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;10,10-dimethyl-9H-anthracene
CID 167609709
9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane
CID 159800677
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 118231877
3-bromo-9-phenylcarbazole;10,10-diphenyl-9H-anthracene;9,9-diphenyl-10-(9-phenylcarbazol-3-yl)acridine;methane
CID 158577516
14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 162093408

Frequently Asked Questions

What is the IUPAC name of 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene?
The IUPAC name of 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene (CID 161499691) is 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene.
What is the SMILES notation for 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene?
The canonical SMILES for 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene is Cc1c(C)c(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2c(C)c(C)c(-c4ccccc4)c(C)c2C)c2ccccc23)c(C)c(C)c1Br.Cc1c(C)c(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2c(C)c(C)c(-n4c5ccccc5c5ccccc54)c(C)c2C)c2ccccc23)c(C)c(C)c1-c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene?
The InChIKey is WGRDIRDNDCRYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53N3.C51H45BrN2.C13H10/c1-38-40(3)60(41(4)39(2)59(38)46-24-10-9-11-25-46)65-55-34-20-14-28-49(55)63(50-29-15-21-35-56(50)65)51-30-16-22-36-57(51)66(58-37-23-17-31-52(58)63)62-44(7)42(5)61(43(6)45(62)8)64-53-32-18-12-26-47(53)48-27-13-19-33-54(48)64;1-30-34(5)49(35(6)31(2)47(30)38-20-10-9-11-21-38)53-43-26-16-12-22-39(43)51(40-23-13-17-27-44(40)53)41-24-14-18-28-45(41)54(46-29-19-15-25-42(46)51)50-36(7)32(3)48(52)33(4)37(50)8;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h9-37H,1-8H3;9-29H,1-8H3;1-8H,9H2.
What are the key properties of 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene?
10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene has a molecular weight of 1784.20 g/mol, XLogP of 34.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(4-bromo-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];10'-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-10-(2,3,5,6-tetramethyl-4-phenylphenyl)-9,9'-spirobi[acridine];9H-fluorene is sourced from PubChem (CID 161499691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).