N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine

C52H40N2 — CID 139567875

IUPACN-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cccc4cc(-n5c6ccccc6c6ccccc65)ccc34)ccc21
InChIInChI=1S/C52H40N2/c1-51(2)42-20-9-5-16-37(42)41-32-35(28-30-44(41)51)54(49-26-14-22-45-50(49)40-19-6-10-21-43(40)52(45,3)4)46-25-13-15-33-31-34(27-29-36(33)46)53-47-23-11-7-17-38(47)39-18-8-12-24-48(39)53/h5-32H,1-4H3
InChIKeyBTHRQCOFRHQYGD-UHFFFAOYSA-N
MW692.91 g/mol
LogP14.02
Rot. Bonds4

About N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine

N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 139567875) has the molecular formula C52H40N2 and a molecular weight of 692.91 g/mol. Its IUPAC name is N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
PubChem CID139567875
Molecular FormulaC52H40N2
Molecular Weight692.91 g/mol
Exact Mass692.32
IUPAC NameN-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cccc4cc(-n5c6ccccc6c6ccccc65)ccc34)ccc21
InChIInChI=1S/C52H40N2/c1-51(2)42-20-9-5-16-37(42)41-32-35(28-30-44(41)51)54(49-26-14-22-45-50(49)40-19-6-10-21-43(40)52(45,3)4)46-25-13-15-33-31-34(27-29-36(33)46)53-47-23-11-7-17-38(47)39-18-8-12-24-48(39)53/h5-32H,1-4H3
InChIKeyBTHRQCOFRHQYGD-UHFFFAOYSA-N
XLogP14.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.91
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
N-[4-(3-carbazol-9-ylphenyl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-(7-carbazol-9-yl-4-phenylnaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158279061
17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033638
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 168809228
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
CID 164986866
N-(3-carbazol-9-yl-5-phenylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-[5-(3-carbazol-9-ylphenyl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-(2-carbazol-9-yl-4-phenylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 159225498
N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine
CID 166002710
N-(7-carbazol-9-ylnaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine;N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine;N-[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 159798759
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286472

Frequently Asked Questions

What is the IUPAC name of N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine (CID 139567875) is N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C4(C)C)c3cccc4cc(-n5c6ccccc6c6ccccc65)ccc34)ccc21.
What is the InChIKey of N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is BTHRQCOFRHQYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2/c1-51(2)42-20-9-5-16-37(42)41-32-35(28-30-44(41)51)54(49-26-14-22-45-50(49)40-19-6-10-21-43(40)52(45,3)4)46-25-13-15-33-31-34(27-29-36(33)46)53-47-23-11-7-17-38(47)39-18-8-12-24-48(39)53/h5-32H,1-4H3.
What are the key properties of N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine?
N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 692.91 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 139567875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).