N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine

C59H58N2 — CID 170543141

IUPACN,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
SMILESCC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C59H58N2/c1-57(2)53-28-48(20-21-49(53)51-29-52-50-10-6-7-11-55(50)61(56(52)30-54(51)57)45-8-4-3-5-9-45)60(46-16-12-43(13-17-46)58-31-37-22-38(32-58)24-39(23-37)33-58)47-18-14-44(15-19-47)59-34-40-25-41(35-59)27-42(26-40)36-59/h3-21,28-30,37-42H,22-27,31-36H2,1-2H3
InChIKeyGRESNOLPHLRZNA-UHFFFAOYSA-N
MW795.13 g/mol
LogP15.50
Rot. Bonds6

About N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine

N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine (PubChem CID 170543141) has the molecular formula C59H58N2 and a molecular weight of 795.13 g/mol. Its IUPAC name is N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine.

Molecular Properties

Compound NameN,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
PubChem CID170543141
Molecular FormulaC59H58N2
Molecular Weight795.13 g/mol
Exact Mass794.46
IUPAC NameN,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
SMILESCC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C59H58N2/c1-57(2)53-28-48(20-21-49(53)51-29-52-50-10-6-7-11-55(50)61(56(52)30-54(51)57)45-8-4-3-5-9-45)60(46-16-12-43(13-17-46)58-31-37-22-38(32-58)24-39(23-37)33-58)47-18-14-44(15-19-47)59-34-40-25-41(35-59)27-42(26-40)36-59/h3-21,28-30,37-42H,22-27,31-36H2,1-2H3
InChIKeyGRESNOLPHLRZNA-UHFFFAOYSA-N
XLogP15.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.13
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-amine
CID 130204001
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
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-(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-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
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]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543145
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-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 158957479

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?
The IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine (CID 170543141) is N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine.
What is the SMILES notation for N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?
The canonical SMILES for N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine is CC1(C)c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?
The InChIKey is GRESNOLPHLRZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H58N2/c1-57(2)53-28-48(20-21-49(53)51-29-52-50-10-6-7-11-55(50)61(56(52)30-54(51)57)45-8-4-3-5-9-45)60(46-16-12-43(13-17-46)58-31-37-22-38(32-58)24-39(23-37)33-58)47-18-14-44(15-19-47)59-34-40-25-41(35-59)27-42(26-40)36-59/h3-21,28-30,37-42H,22-27,31-36H2,1-2H3.
What are the key properties of N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?
N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine has a molecular weight of 795.13 g/mol, XLogP of 15.50, 6 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]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine is sourced from PubChem (CID 170543141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).