12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene

C55H38N2 — CID 146554597

IUPAC12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c4c3c3ccc5ccccc5c3n4-c3ccccc3)ccc21
InChIInChI=1S/C55H38N2/c1-55(2)48-23-13-11-21-42(48)46-33-38(28-32-49(46)55)45-34-47-43-22-12-14-24-50(43)56(40-29-25-36(26-30-40)35-15-5-3-6-16-35)53(47)54-51(45)44-31-27-37-17-9-10-20-41(37)52(44)57(54)39-18-7-4-8-19-39/h3-34H,1-2H3
InChIKeyUPILPTKTVYEFLP-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.67
Rot. Bonds4

About 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene

12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene (PubChem CID 146554597) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene
PubChem CID146554597
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c4c3c3ccc5ccccc5c3n4-c3ccccc3)ccc21
InChIInChI=1S/C55H38N2/c1-55(2)48-23-13-11-21-42(48)46-33-38(28-32-49(46)55)45-34-47-43-22-12-14-24-50(43)56(40-29-25-36(26-30-40)35-15-5-3-6-16-35)53(47)54-51(45)44-31-27-37-17-9-10-20-41(37)52(44)57(54)39-18-7-4-8-19-39/h3-34H,1-2H3
InChIKeyUPILPTKTVYEFLP-UHFFFAOYSA-N
XLogP14.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
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N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847815
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847861
9-(9,9-dimethylfluoren-2-yl)-N-phenylcarbazol-3-amine;N,11-diphenylbenzo[a]carbazol-8-amine;N,9-diphenylcarbazol-3-amine;N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 159034865
16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154952278
14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
CID 163828420
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847479
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
18-dibenzothiophen-2-yl-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene;18-(9,9-dimethylfluoren-2-yl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene;9,18-diphenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene;9-naphthalen-1-yl-18-(4-phenylphenyl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159607719

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene?
The IUPAC name of 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene (CID 146554597) is 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene?
The canonical SMILES for 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene is CC1(C)c2ccccc2-c2cc(-c3cc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c4c3c3ccc5ccccc5c3n4-c3ccccc3)ccc21.
What is the InChIKey of 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene?
The InChIKey is UPILPTKTVYEFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-55(2)48-23-13-11-21-42(48)46-33-38(28-32-49(46)55)45-34-47-43-22-12-14-24-50(43)56(40-29-25-36(26-30-40)35-15-5-3-6-16-35)53(47)54-51(45)44-31-27-37-17-9-10-20-41(37)52(44)57(54)39-18-7-4-8-19-39/h3-34H,1-2H3.
What are the key properties of 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene?
12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene has a molecular weight of 726.92 g/mol, XLogP of 14.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-dimethylfluoren-3-yl)-24-phenyl-3-(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 146554597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).