N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine

C51H52N2 — CID 170543069

IUPACN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine
SMILESCn1c2ccccc2c2cc3c(cc21)-c1ccc(N(c2ccc(C4CC5CCC4C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)cc1C3(C)C
InChIInChI=1S/C51H52N2/c1-50(2)46-25-40(18-19-41(46)44-27-49-45(26-47(44)50)42-6-4-5-7-48(42)52(49)3)53(38-14-10-35(11-15-38)43-24-31-8-9-36(43)23-31)39-16-12-37(13-17-39)51-28-32-20-33(29-51)22-34(21-32)30-51/h4-7,10-19,25-27,31-34,36,43H,8-9,20-24,28-30H2,1-3H3
InChIKeyZZYHGVPVFSGKTR-UHFFFAOYSA-N
MW692.99 g/mol
LogP13.48
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine

N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine (PubChem CID 170543069) has the molecular formula C51H52N2 and a molecular weight of 692.99 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine
PubChem CID170543069
Molecular FormulaC51H52N2
Molecular Weight692.99 g/mol
Exact Mass692.41
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine
SMILESCn1c2ccccc2c2cc3c(cc21)-c1ccc(N(c2ccc(C4CC5CCC4C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)cc1C3(C)C
InChIInChI=1S/C51H52N2/c1-50(2)46-25-40(18-19-41(46)44-27-49-45(26-47(44)50)42-6-4-5-7-48(42)52(49)3)53(38-14-10-35(11-15-38)43-24-31-8-9-36(43)23-31)39-16-12-37(13-17-39)51-28-32-20-33(29-51)22-34(21-32)30-51/h4-7,10-19,25-27,31-34,36,43H,8-9,20-24,28-30H2,1-3H3
InChIKeyZZYHGVPVFSGKTR-UHFFFAOYSA-N
XLogP13.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.99
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine 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

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-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 170543221
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-11,11-dimethyl-2,5-diphenylindeno[1,2-b]carbazol-9-amine
CID 170543173
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-12',12'-dimethylspiro[cyclopentane-1,6'-indeno[1,2-b]fluorene]-2'-amine
CID 170543114
N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543145
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543198
5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660747
N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 170543141
5,11,11-trimethyl-N,N-bis(4-methylphenyl)indeno[1,2-b]carbazol-9-amine
CID 58501433
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-3-naphthalen-2-ylfluoren-2-amine
CID 168738626
N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-12,12-dimethylfluoreno[1,2-b][1]benzothiol-2-amine
CID 170543273

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine?
The IUPAC name of 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) is N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine is Cn1c2ccccc2c2cc3c(cc21)-c1ccc(N(c2ccc(C4CC5CCC4C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)cc1C3(C)C.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine?
The InChIKey is ZZYHGVPVFSGKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52N2/c1-50(2)46-25-40(18-19-41(46)44-27-49-45(26-47(44)50)42-6-4-5-7-48(42)52(49)3)53(38-14-10-35(11-15-38)43-24-31-8-9-36(43)23-31)39-16-12-37(13-17-39)51-28-32-20-33(29-51)22-34(21-32)30-51/h4-7,10-19,25-27,31-34,36,43H,8-9,20-24,28-30H2,1-3H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine?
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine has a molecular weight of 692.99 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine is sourced from PubChem (CID 170543069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).