8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile

C52H32N4O2 — CID 155644917

IUPAC8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile
SMILESCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3c5cc(C#N)c4oc5cc6cc(Nc7ccccc7)ccc6cc5c43)ccc21
InChIInChI=1S/C52H32N4O2/c1-55-46-15-9-8-14-41(46)42-29-40(20-21-47(42)55)56(38-12-6-3-7-13-38)39-19-17-32-24-43-44-26-35(30-53)51-50(52(44)58-48(43)28-34(32)23-39)45-25-31-16-18-37(22-33(31)27-49(45)57-51)54-36-10-4-2-5-11-36/h2-29,54H,1H3
InChIKeyXIVRJHYIFOFPOT-UHFFFAOYSA-N
MW744.85 g/mol
LogP14.52
Rot. Bonds5

About 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile

8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile (PubChem CID 155644917) has the molecular formula C52H32N4O2 and a molecular weight of 744.85 g/mol. Its IUPAC name is 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile.

Molecular Properties

Compound Name8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile
PubChem CID155644917
Molecular FormulaC52H32N4O2
Molecular Weight744.85 g/mol
Exact Mass744.25
IUPAC Name8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile
SMILESCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3c5cc(C#N)c4oc5cc6cc(Nc7ccccc7)ccc6cc5c43)ccc21
InChIInChI=1S/C52H32N4O2/c1-55-46-15-9-8-14-41(46)42-29-40(20-21-47(42)55)56(38-12-6-3-7-13-38)39-19-17-32-24-43-44-26-35(30-53)51-50(52(44)58-48(43)28-34(32)23-39)45-25-31-16-18-37(22-33(31)27-49(45)57-51)54-36-10-4-2-5-11-36/h2-29,54H,1H3
InChIKeyXIVRJHYIFOFPOT-UHFFFAOYSA-N
XLogP14.52
TPSA70.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 514.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,23-bis(N-phenylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile
CID 155360779
8-N,23-N,23-N-tris(4-tert-butylphenyl)-15,16-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155644801
9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360415
15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetraphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine
CID 155360220
8-N,23-N-diphenyl-8-N,23-N-bis(9-phenylcarbazol-3-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362746
4-(N-[17-(N-(4-cyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]anilino)benzonitrile
CID 146497317
23-N-(2-tert-butylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155644783
15-methyl-8-N,8-N,23-N,23-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 146886657
2-(N-[23-(N-(2-cyanophenyl)anilino)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl]anilino)benzonitrile
CID 155360200
2-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(9-phenylcarbazol-3-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155360325
16-methoxy-9-N,9-N,23-N,23-N-tetraphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155362944
N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine
CID 143540583

Frequently Asked Questions

What is the IUPAC name of 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile?
The IUPAC name of 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile (CID 155644917) is 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile.
What is the SMILES notation for 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile?
The canonical SMILES for 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile is Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3c5cc(C#N)c4oc5cc6cc(Nc7ccccc7)ccc6cc5c43)ccc21.
What is the InChIKey of 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile?
The InChIKey is XIVRJHYIFOFPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O2/c1-55-46-15-9-8-14-41(46)42-29-40(20-21-47(42)55)56(38-12-6-3-7-13-38)39-19-17-32-24-43-44-26-35(30-53)51-50(52(44)58-48(43)28-34(32)23-39)45-25-31-16-18-37(22-33(31)27-49(45)57-51)54-36-10-4-2-5-11-36/h2-29,54H,1H3.
What are the key properties of 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile?
8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile has a molecular weight of 744.85 g/mol, XLogP of 14.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-23-(N-(9-methylcarbazol-3-yl)anilino)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-15-carbonitrile is sourced from PubChem (CID 155644917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).