N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine

C54H56N2 — CID 170543145

IUPACN,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
SMILESCn1c2ccccc2c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)ccc1-3
InChIInChI=1S/C54H56N2/c1-52(2)48-26-43(16-17-44(48)46-18-19-47-45-6-4-5-7-49(45)55(3)51(47)50(46)52)56(41-12-8-39(9-13-41)53-27-33-20-34(28-53)22-35(21-33)29-53)42-14-10-40(11-15-42)54-30-36-23-37(31-54)25-38(24-36)32-54/h4-19,26,33-38H,20-25,27-32H2,1-3H3
InChIKeyAPOLXPLRNBXPCG-UHFFFAOYSA-N
MW733.06 g/mol
LogP14.04
Rot. Bonds5

About N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine

N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine (PubChem CID 170543145) has the molecular formula C54H56N2 and a molecular weight of 733.06 g/mol. Its IUPAC name is N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
PubChem CID170543145
Molecular FormulaC54H56N2
Molecular Weight733.06 g/mol
Exact Mass732.44
IUPAC NameN,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
SMILESCn1c2ccccc2c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)ccc1-3
InChIInChI=1S/C54H56N2/c1-52(2)48-26-43(16-17-44(48)46-18-19-47-45-6-4-5-7-49(45)55(3)51(47)50(46)52)56(41-12-8-39(9-13-41)53-27-33-20-34(28-53)22-35(21-33)29-53)42-14-10-40(11-15-42)54-30-36-23-37(31-54)25-38(24-36)32-54/h4-19,26,33-38H,20-25,27-32H2,1-3H3
InChIKeyAPOLXPLRNBXPCG-UHFFFAOYSA-N
XLogP14.04
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.06
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543272
N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 170543141
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine
CID 170543069
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-amine
CID 130204001
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543198
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N,N-bis[4-(1-adamantyl)phenyl]-12,12-dimethyl-3,7,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543238
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 170543265
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine
CID 130203953
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine?
The IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine (CID 170543145) is N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine.
What is the SMILES notation for N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine?
The canonical SMILES for N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine is Cn1c2ccccc2c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)ccc1-3.
What is the InChIKey of N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine?
The InChIKey is APOLXPLRNBXPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56N2/c1-52(2)48-26-43(16-17-44(48)46-18-19-47-45-6-4-5-7-49(45)55(3)51(47)50(46)52)56(41-12-8-39(9-13-41)53-27-33-20-34(28-53)22-35(21-33)29-53)42-14-10-40(11-15-42)54-30-36-23-37(31-54)25-38(24-36)32-54/h4-19,26,33-38H,20-25,27-32H2,1-3H3.
What are the key properties of N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine?
N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine has a molecular weight of 733.06 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine is sourced from PubChem (CID 170543145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).