N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine

C54H47N3 — CID 130203953

IUPACN-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc(-n4c5ccccc5c5cccnc54)cc3)cc21
InChIInChI=1S/C54H47N3/c1-53(2)49-11-5-3-8-45(49)46-26-25-44(31-50(46)53)56(42-21-23-43(24-22-42)57-51-12-6-4-9-47(51)48-10-7-27-55-52(48)57)41-19-15-39(16-20-41)38-13-17-40(18-14-38)54-32-35-28-36(33-54)30-37(29-35)34-54/h3-27,31,35-37H,28-30,32-34H2,1-2H3
InChIKeyZYSQXZYMMKFJKI-UHFFFAOYSA-N
MW737.99 g/mol
LogP14.09
Rot. Bonds6

About N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine

N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine (PubChem CID 130203953) has the molecular formula C54H47N3 and a molecular weight of 737.99 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine
PubChem CID130203953
Molecular FormulaC54H47N3
Molecular Weight737.99 g/mol
Exact Mass737.38
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc(-n4c5ccccc5c5cccnc54)cc3)cc21
InChIInChI=1S/C54H47N3/c1-53(2)49-11-5-3-8-45(49)46-26-25-44(31-50(46)53)56(42-21-23-43(24-22-42)57-51-12-6-4-9-47(51)48-10-7-27-55-52(48)57)41-19-15-39(16-20-41)38-13-17-40(18-14-38)54-32-35-28-36(33-54)30-37(29-35)34-54/h3-27,31,35-37H,28-30,32-34H2,1-2H3
InChIKeyZYSQXZYMMKFJKI-UHFFFAOYSA-N
XLogP14.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.99
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663
N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 170543141
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391609
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-8,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543272
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]quinolin-6-amine
CID 129201041
3-[4-[[4-(1-adamantyl)phenyl]-(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[a]phenalene-7,9'-fluorene]-3-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 160510623

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine (CID 130203953) is N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc(-n4c5ccccc5c5cccnc54)cc3)cc21.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine?
The InChIKey is ZYSQXZYMMKFJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N3/c1-53(2)49-11-5-3-8-45(49)46-26-25-44(31-50(46)53)56(42-21-23-43(24-22-42)57-51-12-6-4-9-47(51)48-10-7-27-55-52(48)57)41-19-15-39(16-20-41)38-13-17-40(18-14-38)54-32-35-28-36(33-54)30-37(29-35)34-54/h3-27,31,35-37H,28-30,32-34H2,1-2H3.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine?
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine has a molecular weight of 737.99 g/mol, XLogP of 14.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 130203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).