bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)

C188H256N12 — CID 165072401

IUPACbis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.c1ccc2c(c1)Cc1c-2c2ccccc2c2ccccc12.c1ccc2c(c1)Cc1c-2c2ccccc2c2ccccc12.c1ccc2c(c1)Cc1ccc3ccccc3c1-2.c1ccc2c(c1)Cc1ccc3ccccc3c1-2
InChIInChI=1S/2C21H14.4C20H27N3.2C17H12.16C2H6/c2*1-2-8-15-14(7-1)13-20-18-11-4-3-9-16(18)17-10-5-6-12-19(17)21(15)20;4*1-5-22(6-2)15-23(7-3)16-12-13-18-17-10-8-9-11-19(17)21(4)20(18)14-16;2*1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;16*1-2/h2*1-12H,13H2;4*8-14H,5-7,15H2,1-4H3;2*1-10H,11H2;16*1-2H3
InChIKeySZHIQLFUSSUOSG-UHFFFAOYSA-N
MW2684.20 g/mol
LogP54.20
Rot. Bonds24

About bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)

bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine) (PubChem CID 165072401) has the molecular formula C188H256N12 and a molecular weight of 2684.20 g/mol. Its IUPAC name is bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine).

Molecular Properties

Compound Namebis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)
PubChem CID165072401
Molecular FormulaC188H256N12
Molecular Weight2684.20 g/mol
Exact Mass2682.04
IUPAC Namebis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.c1ccc2c(c1)Cc1c-2c2ccccc2c2ccccc12.c1ccc2c(c1)Cc1c-2c2ccccc2c2ccccc12.c1ccc2c(c1)Cc1ccc3ccccc3c1-2.c1ccc2c(c1)Cc1ccc3ccccc3c1-2
InChIInChI=1S/2C21H14.4C20H27N3.2C17H12.16C2H6/c2*1-2-8-15-14(7-1)13-20-18-11-4-3-9-16(18)17-10-5-6-12-19(17)21(15)20;4*1-5-22(6-2)15-23(7-3)16-12-13-18-17-10-8-9-11-19(17)21(4)20(18)14-16;2*1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;16*1-2/h2*1-12H,13H2;4*8-14H,5-7,15H2,1-4H3;2*1-10H,11H2;16*1-2H3
InChIKeySZHIQLFUSSUOSG-UHFFFAOYSA-N
XLogP54.20
TPSA45.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002684.20
LogP ≤ 554.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)?
The IUPAC name of bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine) (CID 165072401) is bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine).
What is the SMILES notation for bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)?
The canonical SMILES for bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.CCN(CC)CN(CC)c1ccc2c3ccccc3n(C)c2c1.c1ccc2c(c1)Cc1c-2c2ccccc2c2ccccc12.c1ccc2c(c1)Cc1c-2c2ccccc2c2ccccc12.c1ccc2c(c1)Cc1ccc3ccccc3c1-2.c1ccc2c(c1)Cc1ccc3ccccc3c1-2.
What is the InChIKey of bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)?
The InChIKey is SZHIQLFUSSUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H14.4C20H27N3.2C17H12.16C2H6/c2*1-2-8-15-14(7-1)13-20-18-11-4-3-9-16(18)17-10-5-6-12-19(17)21(15)20;4*1-5-22(6-2)15-23(7-3)16-12-13-18-17-10-8-9-11-19(17)21(4)20(18)14-16;2*1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;16*1-2/h2*1-12H,13H2;4*8-14H,5-7,15H2,1-4H3;2*1-10H,11H2;16*1-2H3.
What are the key properties of bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine)?
bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine) has a molecular weight of 2684.20 g/mol, XLogP of 54.20, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7H-benzo[c]fluorene);ethane;bis(pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene);tetrakis(N,N,N'-triethyl-N'-(9-methylcarbazol-2-yl)methanediamine) is sourced from PubChem (CID 165072401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).